SCHEMBL2406142

SCHEMBL2406142

Cc1cc(C)c(NC(=O)C(F)(F)F)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LCK P06239 7/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CISD2 Q8N5K1 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL2404797 0.81 METAP2 (0.49) HTTL3MBTL1ALDH1A1LMNA
SCHEMBL26575330 0.80 ALDH1A1 (0.55) HTTLCKL3MBTL1ALDH1A1LMNA
SCHEMBL2404746 0.78 PDK1 (0.43) CYP2C9CYP2C19CISD2CYP1A2
SCHEMBL108868 0.77 ATR (0.51) HTTLCKL3MBTL1ALDH1A1CISD2
SCHEMBL13548419 0.74 CYP2C9 (0.46) HTTCYP2C9CYP2C19NPSR1LCK
SCHEMBL23885529 0.73 HTT (0.47) HTTLCKL3MBTL1ALDH1A1LMNA
SCHEMBL15865840 0.73 HTT (0.47) HTTL3MBTL1ALDH1A1LMNA
SCHEMBL30254442 0.73 HTT (0.47) HTTLCKL3MBTL1ALDH1A1LMNA
SCHEMBL525434 0.72 CYP2C9 (0.43) CYP2C9CYP2C19NPSR1L3MBTL1CISD2
SCHEMBL108498 0.72 LCK (0.50) HTTLCKL3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 — — US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 — — US disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 — — EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 — — US disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 — — EP 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 (2 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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD HTT 2465/4885CYP2C9 383/4885CYP2C19 606/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD HTT 2465/4885CYP2C9 383/4885CYP2C19 606/4885

“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.

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