SCHEMBL3452145

SCHEMBL3452145

Cc1cc(S(=O)(=O)Cl)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 3/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ATM Q13315 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL11879439 0.77 NOS3 (0.48) ALDH1A1L3MBTL1HPGDHTTTSHR
SCHEMBL20610099 0.75 POLB (0.39) ALDH1A1TDP1HSD17B10L3MBTL1HPGD
SCHEMBL17132070 0.75 LCK (0.43) ALDH1A1TDP1HSD17B10L3MBTL1HTT
SCHEMBL25304157 0.75 CA1 (0.46) ALDH1A1TDP1L3MBTL1GAACYP3A4
SCHEMBL218559 0.74 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10CYP3A4MAPK1
SCHEMBL11880240 0.74 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10GAAKDM4E
SCHEMBL587103 0.74 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10HTTTSHR
SCHEMBL22396640 0.73 ACP1 (0.39) ALDH1A1TDP1HSD17B10TSHRGAA
SCHEMBL3449694 0.73 UHRF1 (0.46) ALDH1A1TDP1HSD17B10CYP3A4MAPT
SCHEMBL30410070 0.73 UHRF1 (0.46) ALDH1A1TDP1HSD17B10CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 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 (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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ALDH1A1 530/4885TDP1 3828/4885HSD17B10 1121/4885
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 ALDH1A1 1056/4885TDP1 219/4885HSD17B10 2442/4885

“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.