SCHEMBL9930974

SCHEMBL9930974

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.42
TSHR P16473 2/20 0.42
GRM2 Q14416 1/20 0.41
NAMPT P43490 2/20 0.41
GAA P10253 2/20 0.40
KDM4A O75164 1/20 0.40
ATR Q13535 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
GLS O94925 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9931051 0.89 PTGES (0.44) PTGESL3MBTL1HDAC1TSHRGRM2
SCHEMBL1205921 0.85 TSHR (0.47) L3MBTL1HDAC1TSHRGRM2NAMPT
SCHEMBL6629351 0.85 ROCK2 (0.46) L3MBTL1TSHRGRM2NAMPTGAA
SCHEMBL7930745 0.84 TSHR (0.46) PTGESL3MBTL1HDAC1TSHRGRM2
SCHEMBL30965061 0.84 TSHR (0.46) PTGESL3MBTL1HDAC1TSHRGRM2
SCHEMBL10165083 0.83 GRM2 (0.46) L3MBTL1HDAC1TSHRGRM2NAMPT
SCHEMBL14969490 0.82 TSHR (0.57) PTGESL3MBTL1TSHRNAMPTGAA
SCHEMBL134817 0.82 ALDH1A1 (0.61) L3MBTL1HDAC1TSHRGRM2NAMPT
SCHEMBL1169112 0.82 EPHX2 (0.49) L3MBTL1HDAC1TSHRGRM2NAMPT
SCHEMBL27434364 0.82 L3MBTL1 (0.44) PTGESL3MBTL1HDAC1TSHRGRM2

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 550/4885L3MBTL1 4408/4885HDAC1 21/4885

“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.