SCHEMBL5069904

SCHEMBL5069904

COc1cc(C)ccc1S(=O)(=O)N1CCc2c[nH]nc2C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.56
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 2/20 0.42
PKM P14618 3/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
AKR1C3 P42330 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40

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 0.80 CD4 (0.52) ALDH1A1POLBKMT2AGAAPKM
SCHEMBL5070054 0.79 AKR1C3 (0.50) POLBKMT2ASMN1; SMN2CYP3A4CYP2C19
SCHEMBL5069414 0.79 KMT2A (0.45) KMT2ASMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL2805945 0.74 MCOLN3 (0.48) MCOLN3ALDH1A1POLBKMT2AUSP2
SCHEMBL3463347 0.72 MCOLN3 (0.44) MCOLN3ALDH1A1POLBKMT2AUSP2
SCHEMBL5072632 0.71 MAPT (0.43) ALDH1A1POLBKMT2ATSHRCYP3A4
SCHEMBL12719725 0.70 MCOLN3 (0.54) MCOLN3ALDH1A1POLBKMT2AUSP2
Hydrochloric Acid SCHEMBL1625417 0.69 MCOLN3 (0.53) MCOLN3ALDH1A1POLBKMT2AUSP2
SCHEMBL4182166 0.68 MCOLN3 (0.69) MCOLN3ALDH1A1POLBKMT2AUSP2
SCHEMBL6405875 0.67 MCOLN3 (0.54) MCOLN3ALDH1A1POLBKMT2AUSP2

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 MCOLN3 4554/4885ALDH1A1 1455/4885POLB 2932/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS MCOLN3 4530/4885ALDH1A1 1672/4885POLB 3307/4885

“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.