SCHEMBL1465595

SCHEMBL1465595

OCc1cc(Cl)c2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
BAD Q92934 1/20 0.36
ALDH2 P05091 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SLC5A2 P31639 1/20 0.34
POLB P06746 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL1464593 0.87 CYP3A4 (0.39) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL5024362 0.81 ALDH1A1 (0.45) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL354108 0.81 TAAR1 (0.41) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27246692 0.80 TAAR1 (0.40) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1465466 0.79 CYP3A4 (0.39) NPC1RAB9ACYP3A4ALDH1A1CYP2D6
SCHEMBL1173068 0.78 CYP3A4 (0.38) NPC1RAB9ACYP3A4ALDH1A1CYP2D6
SCHEMBL5018742 0.77 TAAR1 (0.41) NPC1RAB9ACYP3A4ALDH1A1CYP2D6
SCHEMBL12219465 0.77 CYP3A4 (0.36) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1465462 0.77 ALDH1A1 (0.36) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11081166 0.74 AHR (0.47) NPC1RAB9ACYP3A4ALDH1A1SMN1; SMN2

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 182 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-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 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-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 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
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
WO-2007087066-A2 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
EP-1369490-B1 Method of preparing a composition containing hygromycin A and epi-hygromycin PFIZER PROD INC (US) 2006-02-08 EP disclosed
EP-1369490-A1 Method of preparing a composition containing hygromycin A and epi-hygromycin Pfizer Products Inc. (US) 2003-12-10 EP disclosed
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 EP disclosed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 US disclosed
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 CN disclosed
EP-1075483-A2 HYGROMYCIN A DERIVATIVES Pfizer Products Inc. (US) 2001-02-14 EP disclosed
WO-1999057125-A2 HYGROMYCIN A DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 WO 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 (5 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 NPC1 38/4885RAB9A 2071/4885CYP3A4 1368/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 38/4885RAB9A 2071/4885CYP3A4 1368/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NPC1 38/4885RAB9A 2071/4885CYP3A4 1368/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 38/4885RAB9A 2071/4885CYP3A4 1368/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 38/4885RAB9A 2071/4885CYP3A4 1368/4885

“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.