SCHEMBL2861697

SCHEMBL2861697

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
EPHX2 P34913 3/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
VNN1 O95497 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL2860050 0.89 PPARG (0.44) TRPV1EPHX2PPARGPPARAHDAC3
SCHEMBL2865476 0.88 CYP3A4 (0.46) NR1H2NR1H3HPGDCYP2D6CYP2C19
SCHEMBL2865026 0.87 LDHA (0.45) EPHX2PPARGPPARANR1H2NR1H3
SCHEMBL2861398 0.86 NR1H2 (0.44) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL2861765 0.85 NR1H2 (0.41) EPHX2PPARGNR1H2NR1H3MEN1
SCHEMBL2861256 0.80 CYP3A4 (0.44) NR1H2NR1H3MEN1GAAKMT2A
SCHEMBL2860149 0.79 SYNJ2 (0.51) NR1H2NR1H3MEN1GAAKMT2A
SCHEMBL2856271 0.78 TAS1R3 (0.46) NR1H2NR1H3MEN1GAAKMT2A
SCHEMBL2860488 0.78 TAS1R3 (0.44) VNN1MEN1KMT2AALDH1A1HPGD
SCHEMBL2861279 0.77 AKR1C3 (0.50) ALDH1A1HPGDCYP1A2CYP2D6CYP2C19

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 TRPV1 1936/4885EPHX2 4542/4885PPARG 2190/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TRPV1 1936/4885EPHX2 4542/4885PPARG 2190/4885

“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.