SCHEMBL2860047

SCHEMBL2860047

CCc1c(O)cc(O)c(C(=O)c2ccc(OC(F)(F)F)cc2)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS1 P23219 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
VNN1 O95497 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
EPHX2 P34913 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2861691 0.88 SMN1; SMN2 (0.42) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2861272 0.85 MAPT (0.47) HPGDAKR1C3AKR1C2SLC6A2
SCHEMBL2859126 0.84 SRD5A2 (0.44) PTGDR2BCL2L1AKR1C3AKR1C2
SCHEMBL2859720 0.84 NPC1 (0.38) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2871577 0.83 ATM (0.43) HDAC3HDAC1HDAC2MRGPRX4
SCHEMBL2864862 0.82 MAPT (0.42) NPC1RAB9APTGDR2TP53AKR1C3
SCHEMBL2867456 0.82 SLC22A12 (0.42) PTGS2RAB9APTGS1HPGDSMN1; SMN2
SCHEMBL2862917 0.81 HPGD (0.40) PTGS2BCL2L1HPGDSMN1; SMN2SLC6A2
SCHEMBL2863843 0.81 NPC1 (0.36) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL28791690 0.81 HDAC3 (0.37) NPC1RAB9AHDAC3HDAC1HDAC2

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 8 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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 PTGS2 3759/4885NPC1 1079/4885RAB9A 1598/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PTGS2 3759/4885NPC1 1079/4885RAB9A 1598/4885

“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.