SCHEMBL2192481

SCHEMBL2192481

O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SHH Q15465 8/20 0.64
MAPK1 P28482 1/20 0.42

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
SCHEMBL12507951 1.00 SHH (0.64) SHHMAPK1
SCHEMBL2192490 1.00 SHH (0.64) SHHMAPK1
SCHEMBL12418076 1.00 SHH (0.64) SHHMAPK1
SCHEMBL4369713 1.00 SHH (0.64) SHHMAPK1
SCHEMBL17497360 0.85 SHH (0.67) SHH
SCHEMBL17497363 0.85 SHH (0.67) SHH
SCHEMBL17515410 0.83 SHH (0.60) SHH
SCHEMBL17497585 0.83 SHH (0.68) SHH
SCHEMBL17497590 0.83 SHH (0.68) SHH
SCHEMBL17497507 0.82 SHH (0.60) 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 1/4885MAPK1 1526/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO SHH 1/4885MAPK1 4482/4885

“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.