SCHEMBL5070044

SCHEMBL5070044

CCCS(=O)(=O)N1CCc2c[nH]nc2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CHEK1 O14757 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL5072632 0.91 MAPT (0.43) MAPTTSHRKDM4EHSD17B10NPC1
SCHEMBL5072096 0.80 MAP3K5 (0.34) MAPTTSHRNPC1RAB9AKMT2A
SCHEMBL5069905 0.78 TSHR (0.49) MAPTTSHRHSD17B10RAB9AKMT2A
SCHEMBL5067933 0.73 CD4 (0.52) KMT2AGAAPKMPOLBALDH1A1
SCHEMBL5069414 0.72 KMT2A (0.45) RAB9AKMT2AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL5134842 0.72 PNMT (0.43) MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5136701 0.71 PNMT (0.41)
SCHEMBL31403105 0.69 ESR1 (0.44) MAPTTSHRNPC1RAB9A
SCHEMBL5135256 0.69 MAOA (0.44)
SCHEMBL4988828 0.68 TSHR (0.43) MAPTTSHRKDM4EHSD17B10NPC1

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 MAPT 3423/4885TSHR 3329/4885KDM4E 749/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS MAPT 2997/4885TSHR 3226/4885KDM4E 804/4885

“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.