SCHEMBL1018124

SCHEMBL1018124

O=C(O)c1ccc(SCCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.54
PLA2G2A P14555 1/20 0.49
PLA2G4B P0C869 2/20 0.48
PLA2G4A P47712 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
PLK1 P53350 1/20 0.42
SRD5A2 P31213 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL1018288 0.88 CA2 (0.52) CA2PLA2G2APLA2G4BPLA2G4AALDH1A1
SCHEMBL9670880 0.83 CA2 (0.64) CA2ALDH1A1KDM4ECA12CA1
SCHEMBL10876734 0.83 PLA2G4B (0.53) PLA2G2APLA2G4BPLA2G4AALDH1A1TP53
SCHEMBL8312307 0.83 HRH3 (0.55) CA2ALDH1A1KDM4ESMN1; SMN2THRA
SCHEMBL6477081 0.83 THRA (0.54) PLA2G2APLA2G4BTP53TSHRHTT
SCHEMBL3030975 0.83 PLA2G2A (0.48) CA2PLA2G2APLA2G4BPLA2G4AALDH1A1
SCHEMBL11573788 0.81 THRA (0.60) PLA2G2APLA2G4BPLA2G4AALDH1A1TP53
SCHEMBL22438945 0.80 THRA (0.62) PLA2G4BPLA2G4AALDH1A1TP53TSHR
SCHEMBL28477008 0.80 THRA (0.62) PLA2G4BPLA2G4AALDH1A1TP53TSHR
SCHEMBL7829330 0.80 THRA (0.62) PLA2G4BPLA2G4AALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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 (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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3954/4885PLA2G2A 3599/4885PLA2G4B 2545/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885PLA2G2A 3512/4885PLA2G4B 2454/4885

“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.