SCHEMBL2862037

SCHEMBL2862037

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCC(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
GRM3 Q14832 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR3 P51677 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2860175 0.89 GRM3 (0.52) GRM3ALDH1A1MEN1KMT2AMAPT
SCHEMBL2859486 0.88 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTTP53RAB9A
SCHEMBL2868820 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2866216 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2866292 0.86 GRM3 (0.42) SMN1; SMN2GRM3ALDH1A1GAAPOLB
SCHEMBL2858385 0.86 MAPT (0.55) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2856092 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2866392 0.85 FKBP1A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2866451 0.84 DRD3 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2867310 0.84 KDM4E (0.44) ALDH1A1MEN1KMT2ACCR3GAA

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 SMN1; SMN2 4682/4885GRM3 3957/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SMN1; SMN2 4682/4885GRM3 3957/4885ALDH1A1 2940/4885

“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.