SCHEMBL2861252

SCHEMBL2861252

CCc1c(O)cc(O)c(C(=O)c2ccc(C)c(O)c2)c1CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SYNJ2 O15056 1/20 0.36
HSD17B1 P14061 3/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GFER P55789 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34

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
SCHEMBL2860145 0.86 TUBB4A (0.48) SYNJ2GAAALDH1A1CYP1A2CYP2D6
SCHEMBL2861394 0.86 SLC22A12 (0.40) SYNJ2GAAALDH1A1GFERCA12
SCHEMBL2865196 0.86 HSD17B1 (0.38) SMN1; SMN2SYNJ2HSD17B1CLK1DYRK1A
SCHEMBL2860161 0.84 CYP1A2 (0.50) SMN1; SMN2SYNJ2GAAALDH1A1CA12
SCHEMBL2856141 0.84 VNN1 (0.38) GAAALDH1A1GFER
SCHEMBL2861760 0.84 GAA (0.44) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL2865471 0.84 CYP3A4 (0.45) RAB9AGAAALDH1A1CA1CA2
SCHEMBL2863503 0.83 L3MBTL1 (0.40) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL2856267 0.81 LMNA (0.46) RAB9ASYNJ2HSP90AB1HTTSLC22A6
SCHEMBL2860483 0.81 STS (0.45) SMN1; SMN2NPC1RAB9AGAAALDH1A1

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 SMN1; SMN2 4682/4885NPC1 1079/4885RAB9A 1598/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SMN1; SMN2 4682/4885NPC1 1079/4885RAB9A 1598/4885

“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.