SCHEMBL17544740

SCHEMBL17544740

COCc1cc(C(=O)O)cc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TPMT P51580 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL16369830 0.85 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL17544615 0.85 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL14204975 0.81 TPMT (0.39) CA12CA1CA2CA7CA9
SCHEMBL2532513 0.81 TPMT (0.39) CA12CA1CA2CA7CA9
SCHEMBL28174124 0.79 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL1425060 0.77 TPMT (0.48) CA12CA1CA2CA7CA9
SCHEMBL1424871 0.76 TPMT (0.39) CA12CA1CA2CA7CA9
SCHEMBL13738300 0.76 ALOX15 (0.45) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1425309 0.75 TPMT (0.47) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2383908 0.75 TPMT (0.38) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 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 (1 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 CA12 2940/4885CA1 1809/4885CA2 1968/4885

“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.