SCHEMBL5070054

SCHEMBL5070054

Cc1cccc(S(=O)(=O)N2CCc3c[nH]nc3C2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.50
GRM5 P41594 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AKR1C1 Q04828 1/20 0.44
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
AKR1C4 P17516 1/20 0.41

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
SCHEMBL5067933 0.86 CD4 (0.52) MEN1KMT2APOLB
SCHEMBL5069904 0.79 MCOLN3 (0.56) AKR1C3MEN1KMT2ACYP3A4CYP2C19
SCHEMBL5069414 0.78 KMT2A (0.45) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL5072632 0.74 MAPT (0.43) GRM5MEN1KMT2ACYP3A4POLB
SCHEMBL2683082 0.73 LMNA (0.60) MEN1KMT2AATMSMN1; SMN2NPSR1
SCHEMBL12656060 0.73 KMT2A (0.53) AKR1C3GRM5MEN1KMT2AATM
SCHEMBL3058872 0.72 AKR1C3 (0.65) AKR1C3CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL2805056 0.71 AKR1C3 (0.44) AKR1C3GRM5MEN1KMT2AATM
SCHEMBL14263406 0.71 POLB (0.67) KMT2AATMSMN1; SMN2NPSR1POLB
SCHEMBL7348061 0.71 AKR1C3 (0.61) AKR1C3MEN1KMT2AATMCYP3A4

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
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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 (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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS AKR1C3 2380/4885GRM5 1614/4885MEN1 2135/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS AKR1C3 2688/4885GRM5 1324/4885MEN1 1812/4885

“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.