SCHEMBL2192095

SCHEMBL2192095

O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)nc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SHH Q15465 11/20 0.81

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
SCHEMBL2192100 1.00 SHH (0.81) SHH
SCHEMBL12418069 1.00 SHH (0.81) SHH
SCHEMBL12507723 1.00 SHH (0.81) SHH
Robotnikinin SCHEMBL12417981 0.89 SHH (1.00) SHH
Robotnikinin SCHEMBL2187337 0.89 SHH (1.00) SHH
Robotnikinin SCHEMBL12417975 0.89 SHH (1.00) SHH
Robotnikinin SCHEMBL10029768 0.89 SHH (1.00) SHH
Robotnikinin SCHEMBL12417978 0.89 SHH (1.00) SHH
Robotnikinin SCHEMBL2187345 0.89 SHH (1.00) SHH
Robotnikinin SCHEMBL10063512 0.89 SHH (1.00) SHH

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 9 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-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
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 SHH 1/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO SHH 1/4885

“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.