SCHEMBL6112971

SCHEMBL6112971

CCC(Oc1ccc(C#N)nc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
PPARA Q07869 11/20 0.43
PPARG P37231 10/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 1/20 0.39
AR P10275 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL8795679 0.86 AR (0.45) SMN1; SMN2ALDH1A1ARACACB
SCHEMBL12646435 0.79 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL16242011 0.76 SMN1; SMN2 (0.51) SMN1; SMN2PPARAPPARGCYP4F2CYP4A11
SCHEMBL4277047 0.75 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL10066804 0.74 AR (0.44) SMN1; SMN2ALDH1A1ARACACB
SCHEMBL5159161 0.73 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL6112957 0.73 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGCYP4F2CYP4A11
SCHEMBL6112960 0.73 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGCYP4F2CYP4A11
SCHEMBL12923711 0.73 ACACB (0.44) ACACB
SCHEMBL11550284 0.73 SMN1; SMN2 (0.67) SMN1; SMN2PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468737-B1 SULFONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-10-30 EP disclosed
EP-2468737-A1 SULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-06-27 EP disclosed
US-20120129891-A1 SULFONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 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 (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-20120129891-A1 SULFONE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 SMN1; SMN2 286/4885PPARA 848/4885PPARG 882/4885

“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.