SCHEMBL3828792

SCHEMBL3828792

Cc1ccc(S(=O)(=O)NCc2nc(C)c(CN)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CA12 O43570 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
GBA1 P04062 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3828784 0.80 POLB (0.48) LMNAHTTSMN1; SMN2MAPTTHRB
SCHEMBL5010826 0.79 SMN1; SMN2 (0.54) LMNAHTTSMN1; SMN2MAPTTHRB
SCHEMBL5010829 0.72 ALDH1A1 (0.44) LMNAHTTSMN1; SMN2MAPTCA12
SCHEMBL5009915 0.70 LMNA (0.52) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL11874029 0.69 ALDH1A1 (0.68) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL25547142 0.68 CA12 (0.83) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL12169323 0.67 KMT2A (0.57) LMNAHTTSMN1; SMN2MAPTKMT2A
SCHEMBL1460880 0.67 CYP3A4 (0.70) LMNAHTTKMT2AMEN1CA12
SCHEMBL25219005 0.67 KMT2A (0.58) LMNAHTTSMN1; SMN2MAPTTHRB
SCHEMBL4923132 0.67 CYP19A1 (0.85) LMNAHTTSMN1; SMN2CA12CYP1A2

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 LMNA 2209/4885HTT 4408/4885SMN1; SMN2 4002/4885

“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.