SCHEMBL17891745

SCHEMBL17891745

CCc1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.44
CA1 P00915 6/20 0.44
CA9 Q16790 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.38
EGFR P00533 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
UCHL1 P09936 1/20 0.36
F2 P00734 1/20 0.35
VDR P11473 1/20 0.35

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
SCHEMBL3258334 0.92 CA2 (0.50) CA2CA1CA9ALDH1A1LMNA
SCHEMBL13527822 0.88 CA2 (0.50) CA2CA1CA9ALDH1A1LMNA
SCHEMBL6991225 0.84 CA1 (0.48) CA2CA1CA9TAAR1ALDH1A1
SCHEMBL1284072 0.82 CA1 (0.43) CA2CA1CA9TAAR1ALDH1A1
SCHEMBL1422315 0.82 CA1 (0.43) CA2CA1CA9TAAR1ALDH1A1
SCHEMBL980388 0.82 CA1 (0.44) CA2CA1CA9TAAR1ALDH1A1
SCHEMBL13067604 0.82 CA1 (0.50) CA2CA1CA9TAAR1ALDH1A1
SCHEMBL1246773 0.82 CA2 (0.48) CA2CA1CA9ALDH1A1LMNA
SCHEMBL3863603 0.82 CA1 (0.43) CA2CA1CA9ALDH1A1LMNA
SCHEMBL9016830 0.82 NQO1 (0.48) CA2CA1CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 EP disclosed
EP-3436445-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2019-02-06 EP disclosed
US-10174003-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 US disclosed
WO-2017161033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 WO disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 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 (3 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-10174003-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B CA2 1439/4885CA1 1871/4885CA9 1163/4885
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B CA2 1439/4885CA1 1871/4885CA9 1163/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B CA2 1439/4885CA1 1871/4885CA9 1163/4885

“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.