SCHEMBL1018288

SCHEMBL1018288

O=C(O)c1ccc(SCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
CA1 P00915 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA13 Q8N1Q1 1/20 0.52
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
SRD5A2 P31213 1/20 0.44
PLA2G2A P14555 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G4B P0C869 1/20 0.43
PLA2G4A P47712 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL1018124 0.88 CA2 (0.54) CA2CA1CA12CA7CA13
SCHEMBL30655866 0.85 CA2 (0.53) CA2CA1CA12CA7CA13
SCHEMBL51274 0.82 GAA (0.54) CA2CA1CA12CA7CA13
SCHEMBL8637757 0.82 CA2 (0.61) CA2CA1CA12CA7CA13
SCHEMBL10872171 0.82 HPGD (0.57) CA2CA1CA12CA7CA13
SCHEMBL1017821 0.82 HTT (0.51) CA2CA1CA12CA7CA13
SCHEMBL2914385 0.82 TSHR (0.48) CA2CA1CA12CA7TSHR
SCHEMBL12365457 0.82 ALDH1A1 (0.53) CA2CA1CA12CA7TSHR
Hydrochloric Acid SCHEMBL28033163 0.80 TSHR (0.46) CA2CA1CA12CA7TSHR
SCHEMBL10876734 0.79 PLA2G4B (0.53) TSHRTP53SMN1; SMN2PLA2G2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025136369-A1 SAFETY-CATCH LINKERS FOR SOLID PHASE PEPTIDE SYNTHESIS AAPPTec, LLC (US) 2025-06-26 WO disclosed
US-20250197441-A1 Safety-Catch Linkers for Solid Phase Peptide Synthesis AAPPTec, LLC (US) 2025-06-19 US disclosed
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
WO-2009053999-A2 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-04-30 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
US-20040171079-A1 Combinatorial active compound synthesis and its intermediates HAAF KLAUS (DE) 2004-09-02 US disclosed
US-20030158443-A1 Combinatorial active compound synthesis and its intermediates HAAF KLAUS (DE) 2003-08-21 US disclosed
EP-0837056-B1 Combinatorial reagent synthesis and intermediates therefor BAYER CROPSCIENCE GMBH (DE) 2003-01-08 EP disclosed
US-20020128383-A1 COMBINATORIAL ACTIVE COMPOUND SYNTHESIS AND ITS INTERMEDIATES HOECHST SCHERING AGREVO GMBH (DE) 2002-09-12 US disclosed
EP-0837056-A2 Combinatorial reagent synthesis and intermediates therefor Hoechst Schering AgrEvo GmbH (DE) 1998-04-22 EP disclosed
US-4922014-A Process for the preparation of oxethylmercaptobenzaldehydes and their oxidation products HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 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-20250197441-A1 Safety-Catch Linkers for Solid Phase Peptide Synthesis PNISR, SPPL2B, VIP CA2 3985/4885CA1 1956/4885CA12 2697/4885
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3954/4885CA1 4482/4885CA12 4756/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885
US-20040171079-A1 Combinatorial active compound synthesis and its intermediates NCL, POLR2E, NOC2L CA2 2640/4885CA1 1753/4885CA12 2489/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885
US-20030158443-A1 Combinatorial active compound synthesis and its intermediates NCL, POLR2E, COASY CA2 2869/4885CA1 1935/4885CA12 2657/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885
US-20020128383-A1 COMBINATORIAL ACTIVE COMPOUND SYNTHESIS AND ITS INTERMEDIATES NCL, POLR2E, NOC2L CA2 2429/4885CA1 1586/4885CA12 2298/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CA2 3856/4885CA1 4396/4885CA12 4708/4885

“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.