SCHEMBL12508091

SCHEMBL12508091

CC(C)(C)OC(=O)CC1C/C=C/CCC(=O)OC(c2ccccc2)CNC1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.64
SHH Q15465 7/20 0.61
L3MBTL1 Q9Y468 2/20 0.46
AGTR1 P30556 1/20 0.43

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
SCHEMBL2192016 1.00 USP2 (0.64) USP2SHHL3MBTL1AGTR1
SCHEMBL2192022 1.00 USP2 (0.64) USP2SHHL3MBTL1AGTR1
SCHEMBL12418065 1.00 USP2 (0.64) USP2SHHL3MBTL1AGTR1
SCHEMBL17498002 0.94 USP2 (0.64) USP2SHHL3MBTL1AGTR1
SCHEMBL17497999 0.94 USP2 (0.64) USP2SHHL3MBTL1AGTR1
SCHEMBL2188419 0.86 SHH (0.69) USP2SHHL3MBTL1AGTR1
SCHEMBL2188428 0.86 SHH (0.69) USP2SHHL3MBTL1AGTR1
SCHEMBL17497323 0.86 USP2 (0.67) USP2SHHL3MBTL1AGTR1
SCHEMBL17497608 0.86 USP2 (0.67) USP2SHHL3MBTL1AGTR1
SCHEMBL17497611 0.86 USP2 (0.67) USP2SHHL3MBTL1AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172233-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-07-14 US disclosed
WO-2009132032-A2 SONIC HEDGEHOG MODULATORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-10-29 WO 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-20110172233-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO USP2 1861/4885SHH 1/4885L3MBTL1 1133/4885

“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.