SCHEMBL2071999

SCHEMBL2071999

Cc1cccc(C(Nc2c(C)cccc2Cl)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
PYGL P06737 5/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CHRNA7 P36544 3/20 0.39
ACP3 P15309 1/20 0.38
CXCL8 P10145 2/20 0.38
CTSA P10619 1/20 0.38
MAPK14 Q16539 1/20 0.38
GAA P10253 1/20 0.38
ABCB11 O95342 1/20 0.37
PTGS1 P23219 1/20 0.37
PPARG P37231 1/20 0.37
NR1I3 Q14994 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
SCHEMBL6036632 0.90 ACP3 (0.43) PTGS2ACP3
SCHEMBL3132378 0.87 PTGS2 (0.48) PTGS2ACP3CTSAGAAABCB11
SCHEMBL27660511 0.86 PTGS2 (0.47) PTGS2ACP3CTSAGAAABCB11
SCHEMBL7165977 0.79 OPRK1 (0.44) CXCL8
SCHEMBL360635 0.78 CXCL8 (0.45) PTGS2CXCL8GAAABCB11PTGS1
SCHEMBL2485161 0.78 MEN1 (0.45) PTGS2GAA
SCHEMBL11271011 0.76 CXCL8 (0.44) PTGS2CXCL8GAAABCB11PTGS1
SCHEMBL6809250 0.76 CXCL8 (0.44) PTGS2CXCL8GAAABCB11PTGS1
Ammonia Solution, Strong SCHEMBL17997772 0.76 MEN1 (0.44) PTGS2GAA
SCHEMBL7165891 0.76 SMN1; SMN2 (0.50)

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-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 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-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES ALDH7A1, CYP4F11, CYP2A6 PTGS2 73/4885PYGL 607/4885PDK1 379/4885

“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.