Sugi Predict

Sugi Predict / Compounds / SCHEMBL8761

SCHEMBL8761

SCHEMBL8761

CC(CCc1ccccc1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ERAP1 Q9NZ08 4/20 0.50
▸ ERAP2 Q6P179 3/20 0.50
▸ IL1RN P18510 2/20 0.50
▸ ANPEP P15144 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL17403338 1.00 TSHR (0.64) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL7598869 0.89 TSHR (0.51) TSHRKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3928178 0.87 LTB4R (0.52) TSHRKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL25874171 0.86 TSHR (0.53) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL12670558 0.84 TSHR (0.68) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL264775 0.84 TSHR (0.68) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL9678140 0.84 TSHR (0.68) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL1073143 0.84 TSHR (0.68) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL473576 0.84 TSHR (0.68) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL660114 0.83 DPP4 (0.51) TSHRSMN1; SMN2HPGDALDH1A1NPC1

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-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 — — WO claimed
EP-3526209-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF Research Triangle Institute, International (US) 2019-08-21 — — EP claimed
WO-2018071526-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2018-04-19 — — WO claimed
CN-106518808-A 3-(N, N-disubstituted amino) propanamide derivative and preparation method and use thereof in medicine 沈阳药科大学 2017-03-22 — — CN claimed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 — — EP claimed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 — — WO claimed
EP-4384519-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION Albert-Ludwigs-Universität Freiburg (DE) 2024-06-19 — — EP disclosed
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
EP-3802530-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS Forschungsverbund Berlin E.V. (DE) 2021-04-14 — — EP disclosed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 — — WO disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 — — WO disclosed
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 — — US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 — — US disclosed
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 — — US disclosed
CN-1346272-A Cystine derivatives as therapeutic agents for matrix metalloprotease related diseases ROCHE DIGNOSTICS GMBH (DE) 2002-04-24 — — CN disclosed
WO-2001055106-A2 NOVEL MELANOCORTIN RECEPTOR AGONISTS AND ANTAGONISTS MELACURE THERAPEUTICS AB (SE) 2001-08-02 — — WO disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 — — US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 — — US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 — — EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 — — 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 (2 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-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO TSHR 3526/4885KMT2A 3392/4885SMN1; SMN2 1774/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO TSHR 3526/4885KMT2A 3392/4885SMN1; SMN2 1774/4885

“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.