SCHEMBL3603947

SCHEMBL3603947

Cc1nc2c(C(=O)O)cccn2c1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MAPK1 P28482 2/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3637774 0.79 CYP1A2 (0.42) SMN1; SMN2KDM4EHSD17B10CASP1CASP7
SCHEMBL25401698 0.74 KDM4E (0.51) SMN1; SMN2ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL9081526 0.74 KDM4E (0.51) SMN1; SMN2ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL3636036 0.74 TP53 (0.40) SMN1; SMN2KDM4EHSD17B10TP53KMT2A
SCHEMBL8191852 0.73 SMN1; SMN2 (0.38) SMN1; SMN2TP53GUCY1B2GUCY1A2GUCY1A1
SCHEMBL2315704 0.71 KDM4E (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL18640783 0.71 MYC (0.42) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL1340395 0.70 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1KDM4EHSD17B10CASP1
SCHEMBL8191898 0.69 CYP1A2 (0.78) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL9286867 0.69 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 SMN1; SMN2 2617/4885ALDH1A1 1430/4885KDM4E 3905/4885

“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.