SCHEMBL3045677

SCHEMBL3045677

O=C(CO)Nc1ncc(C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.51
CDK2 P24941 7/20 0.51
CDK5 Q00535 7/20 0.51
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47
FFAR2 O15552 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
SCD O00767 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 1/20 0.41
HTT P42858 1/20 0.40
ACP1 P24666 1/20 0.40
CCNT1 O60563 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40

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
SCHEMBL15377583 0.81 FFAR2 (0.51) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL186141 0.79 HCAR2 (0.53) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL6883628 0.76 FFAR2 (0.49) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL4252915 0.76 HCAR2 (0.46) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL20819347 0.75 CCNE1 (0.64) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL22750823 0.74 HCAR2 (0.52) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL4256153 0.74 RAB9A (0.65) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL16113553 0.74 HCAR2 (0.52) CCNE1CDK2CDK5FFAR2HCAR2
SCHEMBL12272298 0.73 CCNE1 (0.62) CCNE1CDK2CDK5SMN1; SMN2CCNT1
SCHEMBL2664534 0.73 KDR (0.68) CCNE1CDK2CDK5CSNK2A2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129366-A1 THIAZOLE INHIBITORS OF CYCLOOXYGENASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-27 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-20100129366-A1 THIAZOLE INHIBITORS OF CYCLOOXYGENASE PTGES2, PTGES, PTGES3 CCNE1 3687/4885CDK2 429/4885CDK5 274/4885

“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.