SCHEMBL2861975

SCHEMBL2861975

CCc1c(O)cc(O)c(C(=O)c2ccsc2)c1CC(=O)N1CCC(CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.34
AKR1C3 P42330 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
ALOX5 P09917 1/20 0.31
CNR2 P34972 1/20 0.31
HTR2C P28335 3/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2859486 0.86 ALDH1A1 (0.40) KMT2AAKR1C3HSD17B10ALDH1A1KDM4E
SCHEMBL2862037 0.82 SMN1; SMN2 (0.41) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL2866471 0.77 LCK (0.39) KMT2APOLBMEN1HSD17B10ALDH1A1
SCHEMBL2859064 0.74 ALDH1A1 (0.35) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL2866391 0.73 KIF11 (0.31)
SCHEMBL2860175 0.72 GRM3 (0.52) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL2868820 0.70 SMN1; SMN2 (0.47) KMT2APOLBMEN1HSD17B10ALDH1A1
SCHEMBL2860006 0.70 CES2 (0.32) ALDH1A1
SCHEMBL2858385 0.69 MAPT (0.55) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL2866216 0.69 SMN1; SMN2 (0.40) KMT2APOLBMEN1ALDH1A1MAPT

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 CYP1A2 1343/4885CYP2C9 1162/4885CYP2C19 1259/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CYP1A2 1343/4885CYP2C9 1162/4885CYP2C19 1259/4885

“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.