SCHEMBL4774786

SCHEMBL4774786

C=C(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 2/20 0.41
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
TSHR P16473 2/20 0.40
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.38
EGFR P00533 1/20 0.38
AKT1 P31749 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL19967067 0.80 MAPT (0.40) NPSR1LMNAMAPTXBP1ATM
SCHEMBL587894 0.80 ALDH1A1 (0.43) NPSR1LMNAMAPTXBP1ATM
SCHEMBL27236822 0.80 CA1 (0.47) MAPTALDH1A1KMT2A
SCHEMBL1003233 0.78 TSHR (0.44) NPSR1LMNAMAPTXBP1ATM
SCHEMBL27236892 0.77 NAPRT (0.43) LMNAPTGS2NAPRTALDH1A1KMT2A
SCHEMBL26956166 0.77 CES2 (0.44) NPSR1LMNAMAPTCES2CES1
SCHEMBL28800940 0.76 TSHR (0.42) NPSR1LMNAMAPTXBP1ATM
SCHEMBL27597544 0.76 TSHR (0.42) NPSR1LMNAMAPTXBP1ATM
SCHEMBL28163178 0.76 CES1 (0.40) NPSR1LMNAMAPTXBP1ATM
SCHEMBL1653521 0.76 CA2 (0.42) NPSR1MAPTCES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102260200-B Method for synthesizing phenylsulfone compounds UNIV TSINGHUA 2013-08-14 CN disclosed
CN-102260200-A Method for synthesizing phenylsulfone compounds 2011-11-30 CN disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (4 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 NPSR1 1494/4885LMNA 1057/4885MAPT 1892/4885
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use HCAR1, HCAR2, PAICS NPSR1 1344/4885LMNA 3188/4885MAPT 3694/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NPSR1 1759/4885LMNA 1917/4885MAPT 3756/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS NPSR1 1344/4885LMNA 3188/4885MAPT 3694/4885

“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.