SCHEMBL15092191

SCHEMBL15092191

O=C(Oc1ccc2c(c1)CCCO2)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CTNNB1 P35222 6/20 0.44
WNT3A P56704 6/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.42
ELANE P08246 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL15523076 0.92 KMT2A (0.47) KMT2ASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL6934978 0.82 PGR (0.52) KMT2ASMN1; SMN2TDP1CTNNB1WNT3A
SCHEMBL875456 0.82 CTNNB1 (0.51) KMT2ASMN1; SMN2TDP1CTNNB1WNT3A
SCHEMBL15091861 0.81 KMT2A (0.51) KMT2ASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL15522979 0.80 KMT2A (0.47) KMT2ASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL27776760 0.79 KMT2A (0.58) KMT2ASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL12216202 0.79 CTNNB1 (0.45) KMT2ASMN1; SMN2TDP1CTNNB1WNT3A
SCHEMBL27730297 0.78 KMT2A (0.45) KMT2ASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL19152417 0.78 KMT2A (0.46) KMT2ASMN1; SMN2TDP1CTNNB1WNT3A
SCHEMBL75170 0.77 KMT2A (0.44) KMT2ASMN1; SMN2TDP1CTNNB1WNT3A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8952050-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
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-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
CN-101395147-B 1- (benzo [ D ] [1,3] dioxol-5-yl) -N- (phenyl) cyclopropane-carboxamide derivatives and related compounds as modulators of ATP-binding cassette transporters for the treatment of cystic fibrosis VERTEX PHARMA 2013-05-29 CN disclosed
CN-101395147-A 1- (benzo [ D ] [1,3] dioxol-5-yl) -N- (phenyl) cyclopropane-carboxamide derivatives and related compounds as modulators of ATP-binding cassette transporters for the treatment of cystic fibrosis VERTEX PHARMA (US) 2009-03-25 CN 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 (6 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-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885SMN1; SMN2 4738/4885HTT 1077/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885SMN1; SMN2 4738/4885HTT 1077/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885SMN1; SMN2 4738/4885HTT 1077/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885SMN1; SMN2 4738/4885HTT 1077/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885SMN1; SMN2 4738/4885HTT 1077/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885SMN1; SMN2 4738/4885HTT 1077/4885

“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.