SCHEMBL2856336

SCHEMBL2856336

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.45
AKR1C2 P52895 8/20 0.45
SRD5A2 P31213 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
EPHX2 P34913 1/20 0.42
BCL2L1 Q07817 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PTGS1 P23219 1/20 0.40
AKR1B10 O60218 2/20 0.38
AKR1C4 P17516 2/20 0.38
AKR1C1 Q04828 2/20 0.38
GSK3B P49841 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
SCHEMBL2859767 0.87 LMNA (0.46) AKR1C3AKR1C2SRD5A2PTGS1AKR1C1
SCHEMBL2865026 0.87 LDHA (0.45) SRD5A2PPARGPPARAEPHX2BCL2L1
SCHEMBL2864867 0.86 SLC5A1 (0.42) AKR1C3AKR1C2PTGS1
SCHEMBL2860050 0.85 PPARG (0.44) AKR1C3AKR1C2PPARGPPARAEPHX2
SCHEMBL2861279 0.81 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1AKR1B10AKR1C4
SCHEMBL2865202 0.80 HSD17B1 (0.44) AKR1C3AKR1C2PTGS1AKR1B10AKR1C4
SCHEMBL2858308 0.77 SYNJ2 (0.52) AKR1C3AKR1C2PTGS1AKR1C1IGFBP3
SCHEMBL5491546 0.77 SYNJ2 (0.49) PTGS1
SCHEMBL2862742 0.77 LMNA (0.48) AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL2866366 0.77 TRPA1 (0.36) AKR1C3AKR1C2PTGS1AKR1C1

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 AKR1C3 1059/4885AKR1C2 1145/4885SRD5A2 3701/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P AKR1C3 1059/4885AKR1C2 1145/4885SRD5A2 3701/4885

“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.