SCHEMBL3604649

SCHEMBL3604649

COC(=O)CNCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TSHR P16473 4/20 0.42
TET2 Q6N021 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ANPEP P15144 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 3/20 0.36

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
Hydrochloric Acid SCHEMBL18577216 0.98 CA12 (0.43) CA12CA7CA9CA14TSHR
SCHEMBL16894217 0.84 TSHR (0.40) CA12CA7CA9CA14TSHR
SCHEMBL20362833 0.82 TSHR (0.41) CA12CA7CA9CA14TSHR
SCHEMBL11237051 0.82 TET2 (0.39) CA12CA7CA9CA14TSHR
SCHEMBL21708634 0.82 TET2 (0.39) CA12CA7CA9CA14TSHR
SCHEMBL3830166 0.80 GAA (0.50) TSHRCYP2C19CYP2D6MGAMGAA
SCHEMBL21946049 0.79 TSHR (0.40) CA12CA7CA9CA14TSHR
SCHEMBL73416 0.79 TSHR (0.56) CA12CA14TSHRTET2RECQL
SCHEMBL5189416 0.79 CYP2D6 (0.40) CA12CA7CA14CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL15558552 0.78 LMNA (0.35) CA12CA7CA9CA14TSHR

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-20240425450-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2024-12-26 US disclosed
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 US disclosed
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. 2023-11-09 US disclosed
EP-4210738-A2 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. (US) 2023-07-19 EP disclosed
WO-2022056369-A2 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS Artizan Biosciences, Inc. (US) 2022-03-17 WO disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 US disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
CN-1500080-A Fused heterocyclic compounds ����ҩƷ��ҵ��ʽ���� 2004-05-26 CN disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
CN-1278790-A Chemical compound ASTRA ZENECA BRITISH INC (GB) 2001-01-03 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 (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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 CA12 2329/4885CA7 650/4885CA9 829/4885
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 CA12 4875/4885CA7 4874/4885CA9 3787/4885
US-20230357139-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI CA12 2787/4885CA7 3885/4885CA9 3009/4885
US-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 CA12 2226/4885CA7 703/4885CA9 304/4885
US-20240425450-A1 SMALL MOLECULE INHIBITORS OF BACTERIAL TOXINS FABP2, APC, SI CA12 2787/4885CA7 3885/4885CA9 3009/4885

“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.