SCHEMBL2003348

SCHEMBL2003348

Cc1cc(C)c(NC([NH])=O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.48
NLRP3 Q96P20 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK8 P45983 1/20 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
SCHEMBL2094230 0.81 ALDH1A1 (0.65) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL18415468 0.81 ALDH1A1 (0.87) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL4448022 0.81 ALDH1A1 (0.65) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL2917557 0.80 PKM (0.60) ALDH1A1LMNAHPGDPKMSMN1; SMN2
SCHEMBL2094227 0.79 ALDH1A1 (0.63) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL2902943 0.79 ALDH1A1 (0.63) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL2003350 0.77 ALDH1A1 (0.61) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL98684 0.77 ALDH1A1 (0.61) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL1022819 0.77 ALDH1A1 (0.55) ALDH1A1LMNAHPGDRAPGEF4NLRP3
SCHEMBL2089479 0.76 NLRP3 (0.59) ALDH1A1LMNAHPGDRAPGEF4NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932841-B1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORP (JP) 2014-01-01 EP disclosed
US-8415372-B2 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2013-04-09 US disclosed
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
US-20100093789-A1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-7618984-B2 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1932841-A1 SULFONAMIDE COMPOUND Asahi Kasei Pharma Corporation (JP) 2008-06-18 EP disclosed
US-20070179127-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-02 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 (3 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-20100093789-A1 SULFONAMIDE COMPOUND AKT1, ROCK1, ROCK2 ALDH1A1 2429/4885LMNA 2856/4885HPGD 3242/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 ALDH1A1 1675/4885LMNA 1303/4885HPGD 4490/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALDH1A1 3529/4885LMNA 2215/4885HPGD 2981/4885

“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.