SCHEMBL14280509

SCHEMBL14280509

Cc1cc(C(C)C)cc2c1NC(=O)CO2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.43
NR3C2 P08235 1/20 0.40
PARP1 P09874 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
PKM P14618 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL1285219 0.78 MMP12 (0.45) MMP12NR3C2PARP1TP53MAPT
SCHEMBL8001478 0.73 MMP12 (0.51) MMP12PARP1TP53MAPTSMN1; SMN2
SCHEMBL13052359 0.72 GRIA1 (0.41) MAPTPKM
SCHEMBL14280506 0.72 KCNH2 (0.33)
SCHEMBL19737442 0.71 ADRA2A (0.41) MAPTALDH1A1
SCHEMBL26111920 0.71 HTR2A (0.31)
SCHEMBL13052361 0.71 KIF11 (0.41) PKM
SCHEMBL8306241 0.71 NR3C2 (0.48) MMP12NR3C2PARP1TP53MAPT
SCHEMBL14804046 0.71 MMP12 (0.39) MMP12NR3C2PARP1MAPTALDH1A1
SCHEMBL3488166 0.70 NR3C2 (0.54) MMP12NR3C2PARP1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 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-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL MMP12 635/4885NR3C2 591/4885PARP1 2151/4885

“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.