SCHEMBL2189803

SCHEMBL2189803

C=CCCC(=O)O[C@@H](CNC(=O)[C@@H](CC=C)CC(=O)NCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.53
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TACR1 P25103 1/20 0.39
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
ATM Q13315 2/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL2189806 1.00 L3MBTL1 (0.53) L3MBTL1LMNAALDH1A1TACR1MAPT
SCHEMBL17497370 0.88 L3MBTL1 (0.53) L3MBTL1LMNAALDH1A1ATMKLK7
SCHEMBL17497367 0.88 L3MBTL1 (0.53) L3MBTL1LMNAALDH1A1ATMKLK7
SCHEMBL12508169 0.82 LMNA (0.47) L3MBTL1LMNAALDH1A1TACR1MAPT
SCHEMBL2190863 0.82 LMNA (0.47) L3MBTL1LMNAALDH1A1TACR1MAPT
SCHEMBL2188924 0.79 L3MBTL1 (0.69) L3MBTL1MAPT
SCHEMBL2188918 0.79 L3MBTL1 (0.69) L3MBTL1MAPT
SCHEMBL12508089 0.79 L3MBTL1 (0.69) L3MBTL1MAPT
SCHEMBL12418067 0.79 L3MBTL1 (0.69) L3MBTL1MAPT
SCHEMBL2188914 0.79 L3MBTL1 (0.69) L3MBTL1MAPT

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
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-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
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 (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 1133/4885LMNA 4481/4885ALDH1A1 4466/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO L3MBTL1 188/4885LMNA 4122/4885ALDH1A1 3382/4885

“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.