SCHEMBL2188918

SCHEMBL2188918

C=CCCC(=O)O[C@@H](CNC(=O)[C@@H](CC=C)CC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.69
USP2 O75604 5/20 0.49
PAX8 Q06710 1/20 0.38
MAPT P10636 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PTPRC P08575 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL2188924 1.00 L3MBTL1 (0.69) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL12418067 1.00 L3MBTL1 (0.69) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL2188914 1.00 L3MBTL1 (0.69) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL12508089 1.00 L3MBTL1 (0.69) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL17498012 0.94 L3MBTL1 (0.67) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL17498014 0.94 L3MBTL1 (0.67) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL17498016 0.94 L3MBTL1 (0.67) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL17498010 0.94 L3MBTL1 (0.67) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL17497925 0.86 L3MBTL1 (0.75) L3MBTL1USP2PAX8MAPTCA2
SCHEMBL17497402 0.86 L3MBTL1 (0.75) L3MBTL1USP2PAX8MAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
US-8530456-B2 Sonic hedgehog modulators PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-10 US disclosed
US-8530456-B2 Sonic hedgehog modulators PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-10 US disclosed
US-20110172233-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-07-14 US 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-20110172233-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO L3MBTL1 1133/4885USP2 1861/4885PAX8 190/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO L3MBTL1 188/4885USP2 234/4885PAX8 339/4885

“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.