SCHEMBL2862935

SCHEMBL2862935

CCc1c(OCOC)cc(OCOC)c(-c2cccc(CO)c2)c1CCOC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.40
EGFR P00533 2/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PRKCI P41743 1/20 0.33
FFAR1 O14842 5/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CNR2 P34972 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL2869133 0.88 FYN (0.42) FYNEGFRS1PR1S1PR3HTR1A
SCHEMBL4379642 0.84 EGFR (0.37) EGFR
SCHEMBL4385057 0.82 FFAR1 (0.38) EGFRFFAR1
SCHEMBL4378253 0.81 HTR1A (0.31) HTR1AHTR7FFAR1
SCHEMBL2865272 0.81 DHFR (0.33) FYNEGFRFFAR1
SCHEMBL4386735 0.79 FYN (0.35) FYNEGFRFFAR1
SCHEMBL4382068 0.79 EGFR (0.35) EGFR
SCHEMBL4381984 0.78 EGFR (0.41) EGFR
SCHEMBL2857280 0.78 EGFR (0.33) EGFR
SCHEMBL4387419 0.78 EGFR (0.38) EGFR

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 FYN 2422/4885EGFR 832/4885S1PR1 4155/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P FYN 2422/4885EGFR 832/4885S1PR1 4155/4885

“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.