SCHEMBL7571703

SCHEMBL7571703

CC(C)C#CCOS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL499731 0.80 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7573117 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2105323 0.75 USP2 (0.43) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL576641 0.73
SCHEMBL29261040 0.71
SCHEMBL9423551 0.71
SCHEMBL9228917 0.71
SCHEMBL6165681 0.71 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL576900 0.71 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7574075 0.71 KDM4E (0.32) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055612-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
US-9624234-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20150218180-A1 Heterocyclic compounds and methods for their use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-08-06 US disclosed
US-20150218180-A1 Heterocyclic compounds and methods for their use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-08-06 US disclosed
WO-2013110135-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-08-01 WO disclosed
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP 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-20150218180-A1 Heterocyclic compounds and methods for their use AGTR2, AGTR1, OPRL1 ALDH1A1 2203/4885KDM4E 3369/4885USP2 2808/4885
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 ALDH1A1 1398/4885KDM4E 701/4885USP2 1534/4885

“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.