SCHEMBL2861279

SCHEMBL2861279

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
AKR1C1 Q04828 2/20 0.50
PTGS1 P23219 1/20 0.50
SLC5A1 P13866 3/20 0.47
SLC5A2 P31639 3/20 0.47
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH1 P35367 1/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL2865476 0.89 CYP3A4 (0.46) AKR1C3AKR1C2AKR1C1PTGS1SLC5A1
SCHEMBL2859767 0.88 LMNA (0.46) AKR1C3AKR1C2AKR1C1PTGS1SLC5A1
SCHEMBL15225595 0.87 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1CYP2D6
SCHEMBL2860050 0.86 PPARG (0.44) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL5491546 0.85 SYNJ2 (0.49) PTGS1CYP2C19CYP3A4ALDH1A1CYP1A2
SCHEMBL2858308 0.85 SYNJ2 (0.52) AKR1C3AKR1C2AKR1C1PTGS1CYP2C19
SCHEMBL2864867 0.85 SLC5A1 (0.42) AKR1C3AKR1C2PTGS1SLC5A1SLC5A2
SCHEMBL15225837 0.83 PTGS2 (0.51) AKR1C3AKR1C2PTGS1SLC5A1SLC5A2
SCHEMBL2862742 0.82 LMNA (0.48) AKR1C3AKR1C2AKR1C1PTGS1LMNA
SCHEMBL2856336 0.81 AKR1C3 (0.45) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10

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 7 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 claimed
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 1145/4885AKR1C1 1097/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P AKR1C3 1059/4885AKR1C2 1145/4885AKR1C1 1097/4885

“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.