SCHEMBL2860050

SCHEMBL2860050

CCC(C(=O)O)c1cc(O)cc(O)c1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
EPHX2 P34913 2/20 0.44
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
AKR1C3 P42330 6/20 0.40
AKR1C2 P52895 6/20 0.40
AKR1C1 Q04828 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39
PPARD Q03181 2/20 0.39
PTGS1 P23219 1/20 0.38
VNN1 O95497 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL2861697 0.89 TRPV1 (0.42) PPARGPPARAEPHX2AURKATPX2
SCHEMBL2861279 0.86 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2856336 0.85 AKR1C3 (0.45) PPARGPPARAEPHX2AKR1C3AKR1C2
SCHEMBL2859767 0.84 LMNA (0.46) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2864867 0.83 SLC5A1 (0.42) AKR1C3AKR1C2PTGS1
SCHEMBL2865202 0.77 HSD17B1 (0.44) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL2858308 0.77 SYNJ2 (0.52) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL5491546 0.77 SYNJ2 (0.49) PTGS1
SCHEMBL2862742 0.76 LMNA (0.48) HRH3AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL15225595 0.76 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P PPARG 2190/4885PPARA 3794/4885EPHX2 4542/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PPARG 2190/4885PPARA 3794/4885EPHX2 4542/4885

“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.