SCHEMBL3023976

SCHEMBL3023976

O=S(=O)(c1ccccc1)c1[c][nH]c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPBWR1 P48145 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCB1 P08183 2/20 0.35
ABCC1 P33527 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2097244 0.69 DCUN1D1 (0.41) CYP1A2CYP2C9CYP2C19KDM4ELMNA
SCHEMBL7358537 0.67 GAA (0.42) CYP1A2KDM4EMAPTALDH1A1MEN1
SCHEMBL7700673 0.67 ALDH1A1 (0.46) HTR6KDM4ETDP1LMNAMAPT
(Phenylsulfonyl)Benzene SCHEMBL2148473 0.66 HTR6 (0.82) HTR6TDP1MAPTALDH1A1HSD17B10
(Phenylsulfonyl)Benzene SCHEMBL4982378 0.64 HTR6 (0.88) HTR6TDP1MAPTALDH1A1PKM
(Phenylsulfonyl)Benzene SCHEMBL29473549 0.63 HTR6 (1.00) HTR6CYP3A4TDP1MAPTALDH1A1
(Phenylsulfonyl)Benzene SCHEMBL13735236 0.63 HTR6 (1.00) HTR6CYP3A4TDP1MAPTALDH1A1
(Phenylsulfonyl)Benzene SCHEMBL29775288 0.63 HTR6 (1.00) HTR6CYP3A4TDP1MAPTALDH1A1
(Phenylsulfonyl)Benzene SCHEMBL29450723 0.63 HTR6 (1.00) HTR6CYP3A4TDP1MAPTALDH1A1
(Phenylsulfonyl)Benzene SCHEMBL30255 0.63 HTR6 (1.00) HTR6CYP3A4TDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 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 (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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 HTR6 3146/4885CYP1A2 4752/4885CYP3A4 4323/4885

“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.