SCHEMBL5067933

SCHEMBL5067933

Cc1ccc(S(=O)(=O)N2CCc3c[nH]nc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD4 P01730 10/20 0.52
PKM P14618 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
RYR2 Q92736 1/20 0.46

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
SCHEMBL5070054 0.86 AKR1C3 (0.50) MEN1KMT2APOLB
SCHEMBL5069414 0.81 KMT2A (0.45) MEN1KMT2AHTT
SCHEMBL5069904 0.80 MCOLN3 (0.56) PKMMEN1KMT2AGAAALDH1A1
SCHEMBL13302259 0.77 KMT2A (0.77) PKMMEN1KMT2AGAAALDH1A1
SCHEMBL14751054 0.73 AKR1C3 (0.65) CD4PKMMEN1KMT2AALDH1A1
SCHEMBL265611 0.72 PKM (0.61) CD4PKMMEN1KMT2AGAA
SCHEMBL12330050 0.72 PKM (0.61) CD4PKMMEN1KMT2AGAA
SCHEMBL31287301 0.72 MEN1 (0.55) CD4PKMMEN1KMT2AGAA
SCHEMBL16572402 0.72 MEN1 (0.55) CD4PKMMEN1KMT2AGAA
SCHEMBL5069905 0.71 TSHR (0.49) MEN1KMT2AGAAALDH1A1POLB

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 CD4 939/4885PKM 1661/4885MEN1 2135/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS CD4 787/4885PKM 1535/4885MEN1 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.