SCHEMBL4886689

SCHEMBL4886689

CS(=O)(=O)c1cccc(C(=O)O)c1CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
BCAT2 O15382 1/20 0.41
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MYC P01106 1/20 0.35

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
SCHEMBL6466209 0.81 ALOX15 (0.46) ALOX15BCAT2CA12CA9TSHR
SCHEMBL9078175 0.79 LMNA (0.38) ALOX15BCAT2CA12CA9TSHR
SCHEMBL3969207 0.78 ALDH1A1 (0.50) ALOX15TSHRLMNAALDH1A1MYC
SCHEMBL17424942 0.76 ALDH1A1 (0.48) ALOX15CA12CA9TSHRSMN1; SMN2
SCHEMBL147992 0.75 ALOX15 (0.50) ALOX15BCAT2CA12CA9TSHR
SCHEMBL30569545 0.75 BCAT2 (0.43) ALOX15BCAT2CA12CA9TSHR
SCHEMBL2397071 0.74 CYP1A2 (0.44) ALOX15CA12CA9TSHRSMN1; SMN2
SCHEMBL668028 0.74 HTT (0.49) CA12CA9TSHRCA1CA2
SCHEMBL34748 0.73 BCAT2 (0.62) ALOX15BCAT2CA12CA9TSHR
SCHEMBL29838630 0.73 BCAT2 (0.62) ALOX15BCAT2CA12CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ALOX15 1764/4885BCAT2 2283/4885CA12 3043/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ALOX15 1764/4885BCAT2 2283/4885CA12 3043/4885

“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.