SCHEMBL3261763

SCHEMBL3261763

Cc1cc(C)c(C)c(C)c1C.O=S(=O)(Cl)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 5/20 0.64
TDP1 Q9NUW8 1/20 0.64
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
GAA P10253 3/20 0.40
ALOX15 P16050 3/20 0.40
TSHR P16473 2/20 0.40
CYTH2 Q99418 2/20 0.40
HTR6 P50406 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PSIP1 O75475 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
HPGD P15428 2/20 0.37

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
SCHEMBL3260989 0.90 ALDH1A1 (0.73) ALDH1A1HSD17B10TDP1HTTL3MBTL1
SCHEMBL30036615 0.80 TDP1 (1.00) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
SCHEMBL10704793 0.80 TDP1 (1.00) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
SCHEMBL18636497 0.80 TDP1 (1.00) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
Benzene SCHEMBL4292987 0.80 TDP1 (1.00) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
SCHEMBL17223 0.80 TDP1 (1.00) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
Toluene SCHEMBL7520597 0.79 ALDH1A1 (0.76) ALDH1A1HSD17B10TDP1HTTL3MBTL1
SCHEMBL1859763 0.78 ALDH1A1 (0.84) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
Methane SCHEMBL29110024 0.78 TDP1 (0.94) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA
Bromide SCHEMBL28859264 0.78 TDP1 (0.94) ALDH1A1HSD17B10TDP1SMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 WO 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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS ALDH1A1 1114/4885HSD17B10 573/4885TDP1 3649/4885

“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.