SCHEMBL4384129

SCHEMBL4384129

CCc1c(O)cc(O)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.41
GABRA5 P31644 1/20 0.37
CNR2 P34972 1/20 0.36
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 3/20 0.34
ACSS2 Q9NR19 2/20 0.33
CYP2C9 P11712 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL4379268 0.88 PTGIR (0.42) PTGIRHSP90AA1HSP90AB1
SCHEMBL4384125 0.87 PTGIR (0.39) PTGIRGABRA5HSP90AA1HSP90AB1CYP2C9
SCHEMBL4389505 0.84 PTGIR (0.36) PTGIRGABRA5CNR2CYP2C9PTGER4
SCHEMBL4379839 0.84 ADORA2A (0.35) PTGIRCNR2
SCHEMBL4379007 0.82 ADORA2A (0.44) PTGIRCNR2
SCHEMBL4392482 0.79 PTGIR (0.36) PTGIR
SCHEMBL4388328 0.79 GCGR (0.39) CNR2CYP2C9
SCHEMBL4393955 0.73 PTGIR (0.39) PTGIRCNR2HSP90AA1CYP2C9PTGER4
SCHEMBL4383980 0.71 PTGIR (0.39) PTGIR
SCHEMBL4392464 0.71 GCGR (0.37) CNR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P PTGIR 2990/4885GABRA5 785/4885CNR2 1898/4885

“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.