SCHEMBL9931393

SCHEMBL9931393

Cc1ccc(CNC(=O)C(C)(C)C)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.58
NR1H4 Q96RI1 4/20 0.52
HDAC6 Q9UBN7 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
RIPK1 Q13546 1/20 0.42
SMO Q99835 1/20 0.42
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
CNR2 P34972 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
SCHEMBL1672227 0.87 NR1H4 (0.48) PTGESNR1H4EPHX2SMN1; SMN2RIPK1
SCHEMBL14965812 0.85 PTGES (0.56) PTGESNR1H4HDAC6CA1CA2
SCHEMBL17199216 0.84 PTGES (0.59) PTGESNR1H4HDAC6CA1CA2
SCHEMBL1671704 0.84 PTGES (0.59) PTGESNR1H4HDAC6CA1CA2
SCHEMBL30901987 0.82 NR1H4 (0.50) PTGESNR1H4CA1CA2EPHX2
SCHEMBL14979282 0.82 NR1H4 (0.50) PTGESNR1H4CA1CA2EPHX2
SCHEMBL25587378 0.81 HDAC6 (0.53) PTGESNR1H4HDAC6CA1CA2
SCHEMBL31169339 0.81 PTGES (0.60) PTGESNR1H4HDAC6CA1CA2
SCHEMBL1671417 0.81 PTGES (0.60) PTGESNR1H4HDAC6CA1CA2
SCHEMBL11978600 0.80 HDAC6 (0.51) PTGESNR1H4HDAC6CA1CA2

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
EP-2655335-A1 NOVEL IMIDAZOLE-2-BENZAMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF OSTEOARTHRITIS Eli Lilly and Company (US) 2013-10-30 EP disclosed
US-8252831-B2 Imidazole-2-benzamide compounds useful for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2012-08-28 US disclosed
WO-2012087771-A1 NOVEL IMIDAZOLE-2-BENZAMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF OSTEOARTHRITIS ELI LILLY AND COMPANY (US) 2012-06-28 WO disclosed
US-20120157506-A1 Novel Imidazole-2-Benzamide Compounds Useful for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2012-06-21 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-20120157506-A1 Novel Imidazole-2-Benzamide Compounds Useful for the Treatment of Osteoarthritis ARG2, HDAC6, COL2A1 PTGES 550/4885NR1H4 1205/4885HDAC6 2/4885

“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.