SCHEMBL3305875

SCHEMBL3305875

CC(C)NC(=O)c1cccc(CNC=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.56
▸ ROCK1 Q13464 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ERN1 O75460 3/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAOB P27338 1/20 0.45
▸ ADH1B P00325 1/20 0.45
▸ ADH1C P00326 1/20 0.45
▸ ADH1A P07327 1/20 0.45
▸ ADH7 P40394 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ PRKD1 Q15139 2/20 0.44

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
SCHEMBL23553939 0.84 ROCK2 (0.60) ROCK2ROCK1NPSR1KDM4EERN1
SCHEMBL3310579 0.82 ALDH1A1 (0.65) ROCK2ROCK1ADH1BADH1CADH1A
SCHEMBL17540487 0.80 NPSR1 (0.56) ROCK2ROCK1NPSR1KDM4EERN1
SCHEMBL13753809 0.80 NPSR1 (0.56) ROCK2ROCK1NPSR1KDM4EERN1
SCHEMBL3305869 0.80 ROCK2 (0.56) ROCK2ROCK1NPSR1KDM4EERN1
SCHEMBL27273362 0.79 KDM4E (0.57) ROCK2ROCK1NPSR1KDM4EERN1
SCHEMBL13853836 0.79 ROCK2 (0.61) ROCK2ROCK1NPSR1KDM4EMRGPRX4
SCHEMBL2664262 0.79 MEP1B (0.60) MRGPRX4ADH1BADH1CADH1AADH7
SCHEMBL8593124 0.78 NPSR1 (0.69) ROCK2ROCK1NPSR1KDM4EERN1
SCHEMBL5992710 0.77 ADH1B (0.52) MAOBADH1BADH1CADH1AADH7

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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 — — US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 — — 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 (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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 ROCK2 1986/4885ROCK1 1289/4885NPSR1 1196/4885

“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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