SCHEMBL4197256

SCHEMBL4197256

O=S(=O)(Cc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.54
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PSIP1 O75475 1/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
Acetic Acid SCHEMBL27867872 0.92 MLNR (0.48) MLNRMAPTCYP1A2CYP2A6LMNA
Formic Acid Methyl Ester SCHEMBL28104574 0.88 MLNR (0.45) MLNRMAPTCYP1A2CYP2A6LMNA
SCHEMBL4203432 0.86 MLNR (0.52) MLNRCYP1A2CYP2A6LMNASMN1; SMN2
SCHEMBL28389504 0.81 MLNR (0.57) MLNRLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL27450675 0.80 CYP1A2 (0.54) MLNRCYP1A2CYP2A6LMNACA1
SCHEMBL294031 0.79 CYP1A2 (0.52) MLNRCYP1A2CYP2A6LMNACA1
Benzylsulfonylbenzene SCHEMBL780337 0.78 TSHR (0.68) MAPTLMNASMN1; SMN2TSHRHSD17B10
SCHEMBL2374771 0.77 CYP1A2 (0.50) MLNRCYP1A2CYP2A6LMNACA1
SCHEMBL1764709 0.77 CA1 (0.57) MLNRCYP1A2CYP2A6LMNACA1
SCHEMBL12230567 0.77 CYP1A2 (0.50) MLNRCYP1A2CYP2A6LMNACA1

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
CN-109761863-B (E) - (2- (phenylsulfonyl) ethenyl) benzene and its derivative and synthetic method 湘潭大学 2020-10-02 CN claimed
CN-109761863-A (E)-(2-(phenyl sulfonyl) vinyl) benzene and its derivative and synthetic method 湘潭大学 2019-05-17 CN claimed
CN-109761863-B (E) - (2- (phenylsulfonyl) ethenyl) benzene and its derivative and synthetic method 湘潭大学 2020-10-02 CN disclosed
CN-109761863-A (E)-(2-(phenyl sulfonyl) vinyl) benzene and its derivative and synthetic method 湘潭大学 2019-05-17 CN disclosed
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US disclosed
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US disclosed
WO-2008157216-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2008-12-24 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-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES HTR6, HTR2B, HTR3B MLNR 65/4885MAPT 4847/4885CYP1A2 133/4885

“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.