SCHEMBL3776137

SCHEMBL3776137

COc1ccc(OC(=O)C2CC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
ELANE P08246 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL11838792 0.89 KMT2A (0.53) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL3782251 0.88 KMT2A (0.49) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL3786540 0.86 KMT2A (0.53) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL3787430 0.83 ATM (0.52) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL15092027 0.83 KMT2A (0.50) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL28489862 0.83 KMT2A (0.54) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL15091878 0.82 KMT2A (0.56) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL17933774 0.82 KMT2A (0.53) SMN1; SMN2KMT2AHTTTDP1HPGD
SCHEMBL3781878 0.82 HTT (0.49) POLBSMN1; SMN2KMT2AHTTTDP1
SCHEMBL3782913 0.80 ATM (0.55) POLBSMN1; SMN2KMT2AHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US 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-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
CN-102863432-B CFTR conditioning agent 沃泰克斯药物股份有限公司 2016-09-07 CN disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8912199-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-16 US disclosed
CN-102775396-B Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-08 CN disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-8598181-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-03 US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
CN-101687842-B Modulators of CFTR VERTEX PHARMA 2013-03-06 CN disclosed
CN-102863432-A Modulators of cftr VERTEX PHARMA 2013-01-09 CN disclosed
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 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 (13 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 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 POLB 2183/4885SMN1; SMN2 4738/4885KMT2A 4313/4885

“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.