SCHEMBL3828784

SCHEMBL3828784

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.45
CA12 O43570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHEK2 O96017 1/20 0.44
CYP19A1 P11511 1/20 0.44
PTGES O14684 1/20 0.43
GAA P10253 1/20 0.42
GBA1 P04062 1/20 0.42

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
SCHEMBL3828792 0.80 LMNA (0.51) POLBMAPTTHRBLMNAHTT
SCHEMBL5010822 0.72 ALDH1A1 (0.43) POLBMAPTLMNAHTTSMN1; SMN2
SCHEMBL5010826 0.72 SMN1; SMN2 (0.54) MAPTTHRBLMNAHTTSMN1; SMN2
SCHEMBL4859251 0.69 ALDH1A1 (0.61) POLBLMNAHTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5008312 0.67 DDR1 (0.39) POLBHTTGAA
SCHEMBL25547142 0.66 CA12 (0.83) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL12530914 0.66 TSHR (0.72) POLBMAPTLMNAHTTSMN1; SMN2
SCHEMBL3828276 0.66 MEN1 (0.44) POLBMAPTLMNAMEN1KMT2A
SCHEMBL25349264 0.65 ALDH1A1 (0.64) MAPTLMNAHTTMEN1KMT2A
SCHEMBL12169323 0.65 KMT2A (0.57) POLBMAPTLMNAHTTSMN1; SMN2

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 POLB 2667/4885MAPT 2112/4885THRB 2520/4885

“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.