SCHEMBL7826596

SCHEMBL7826596

CC(=O)c1ccc(Sc2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP47 Q96K76 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B2 P37059 3/20 0.48
HSD17B1 P14061 2/20 0.48
PKM P14618 1/20 0.46
LIG1 P18858 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
GSK3B P49841 1/20 0.41
CYP3A4 P08684 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
SCHEMBL7060968 0.85 PKM (0.58) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL11400595 0.84 PKM (0.56) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL11392259 0.84 PKM (0.56) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL13056224 0.83 LMNA (0.40) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL9724133 0.81 USP7 (0.60) USP47HSD17B2HSD17B1PKMNPC1
SCHEMBL11392258 0.81 HSD17B2 (0.47) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL11400592 0.81 HSD17B2 (0.47) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL9724101 0.78 HSD17B1 (0.48) ALDH1A1HPGDHSD17B2HSD17B1MAPT
SCHEMBL2786198 0.76 LMNA (0.54) USP47ALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL6940078 0.76 HPGD (0.43) ALDH1A1HPGDHSD17B2HSD17B1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8652752-B2 Sulphonium salt initiators BASF SE (DE) 2014-02-18 US disclosed
US-8652752-B2 Sulphonium salt initiators BASF SE (DE) 2014-02-18 US disclosed
EP-2197869-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-04-24 EP disclosed
US-20100297540-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 US disclosed
US-20100297540-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 US disclosed
WO-2009047105-A1 SULPHONIUM SALT INITIATORS BASF SE (CH) 2009-04-16 WO disclosed
EP-1086091-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2001-10-10 EP disclosed
US-6262055-B1 SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES MERCK & CO., INC. 2001-07-17 US disclosed
EP-1086091-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2001-03-28 EP disclosed
WO-1999062897-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 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-20100297540-A1 SULPHONIUM SALT INITIATORS SULT1A1, SULT2A1, NCOA1 USP47 4349/4885ALDH1A1 1081/4885HPGD 3606/4885

“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.