SCHEMBL1465501

SCHEMBL1465501

O=C(O)C1(C2=COC(c3ccccc3F)O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.35
APP P05067 3/20 0.34
CYP2C9 P11712 3/20 0.34
AKR1C1 Q04828 2/20 0.34
GAA P10253 1/20 0.33
KCNN4 O15554 1/20 0.32
KDM1A O60341 2/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
KDM1B Q8NB78 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6773682 0.70 ALDH1A1 (0.40) HDAC4GAAKDM1AKDM1B
SCHEMBL1014603 0.69 LTB4R (0.37) AKR1C1
SCHEMBL1464632 0.66 HTR2C (0.36) GAAKDM1AKDM1B
SCHEMBL31125559 0.66 HDAC4 (0.59) HDAC4APPCYP2C9AKR1C1AKR1C3
SCHEMBL301133 0.66 HDAC4 (0.59) HDAC4APPCYP2C9AKR1C1AKR1C3
SCHEMBL9314481 0.65 AKR1C1 (0.45) HDAC4APPCYP2C9AKR1C1AKR1C3
SCHEMBL17093365 0.61 AKR1C1 (0.36) HDAC4AKR1C1GAAKCNN4
SCHEMBL30501854 0.61 HDAC4 (0.62) HDAC4AKR1C1GAA
SCHEMBL31580968 0.61 HDAC4 (0.67) HDAC4AKR1C1GAA
SCHEMBL5637311 0.61 HDAC4 (0.62) HDAC4AKR1C1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
EP-3882245-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2021-09-22 EP disclosed
EP-3327016-B1 PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2021-06-16 EP disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
US-7776905-B2 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
WO-2010054138-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-14 WO disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
EP-2007756-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmceuticals Incorporated (US) 2008-12-31 EP disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 HDAC4 3521/4885APP 2681/4885CYP2C9 1173/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 HDAC4 4206/4885APP 1160/4885CYP2C9 1614/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HDAC4 2932/4885APP 1381/4885CYP2C9 1579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.