Sugi Predict

Sugi Predict / Compounds / SCHEMBL2018617

SCHEMBL2018617

SCHEMBL2018617

OC(=S)c1cccc(-c2ccccc2)c1C(O)=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.46
▸ BCAT2 O15382 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRNB2 P17787 4/20 0.39
▸ CHRNB4 P30926 4/20 0.39
▸ CHRNA3 P32297 4/20 0.39
▸ CHRNA4 P43681 4/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37

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
SCHEMBL7037895 0.86 HNF4A (0.55) HNF4ABCAT2ALDH1A1HSD17B10KMT2A
SCHEMBL6070294 0.82 BCAT2 (0.56) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL7754535 0.79 ALDH1A1 (0.58) HNF4AALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL10845053 0.78 CHRNB2 (0.64) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL1478854 0.76 BCAT2 (0.48) HNF4ABCAT2ALDH1A1HSD17B10HPGD
Thiobenzoic Acid SCHEMBL4937636 0.75 BCAT2 (0.48) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL27727903 0.74 ALDH1A1 (0.41) HNF4ABCAT2ALDH1A1HSD17B10HPGD
Thiobenzoic Acid SCHEMBL7573638 0.73 HNF4A (0.44) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL7755642 0.73 CA1 (0.48) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL2017300 0.72 CHRNB2 (0.53) ALDH1A1HSD17B10HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 — — US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 — — US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 — — US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 — — US disclosed
WO-2010029017-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 — — WO disclosed
WO-2010029016-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-03-18 — — WO disclosed
EP-2161264-A1 Polymerizable photoinitiators and radiation curable compositions Agfa Graphics N.V. (BE) 2010-03-10 — — EP disclosed
EP-2161290-A1 Radiation curable compositions Agfa Graphics N.V. (BE) 2010-03-10 — — EP disclosed
US-20030105321-A1 Substituted with sulfonamide, sulfonate, or thiosulfonate groups of given formula; Use as a colorant and a pigment precursor, especially in light-sensitive compositions for color filters WOLLEB ANNEMARIE (CH) 2003-06-05 — — US disclosed
EP-1119590-B1 SUBSTITUTED PHTHALOCYANINE CIBA SC HOLDING AG (CH) 2003-01-08 — — EP disclosed
US-6444807-B1 PHOTOSENSITIVITY; COLOR FILTERS CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-03 — — US disclosed
US-4594400-A Thioxanthonecarboxylic acids, esters thioesters and amides with reactive functional groups and polymers prepared therefrom and having thioxanthone radicals as side chains CIBA-GEIGY CORPORATION (US) 1986-06-10 — — US disclosed
EP-0033721-B1 POLYMERS CROSS-LINKABLE BY LIGHT WITH PENDING THIOXANTHONE AND IMIDYL GROUPS, AND PROCESS FOR PREPARING SAME CIBA-GEIGY AG (CH) 1985-08-14 — — EP disclosed
US-4505794-A PHOTOINITIATORS WITH AMINES FOR PHOTOPOLYMERIZATION OF UNSATURATEDCOMPOUNDS; SOLUBILITY CIBA-GEIGY CORPORATION (US) 1985-03-19 — — US disclosed
US-4506083-A INITIATORS FOR PHOTOPOLYMERIZATION OR PHOTOCHEMICAL CROSSLINKING CIBA-GEIGY CORPORATION (US) 1985-03-19 — — US disclosed
EP-0033720-B1 ESTERS, THIOESTERS AND AMIDES OF THIOXANTHONE CARBONXYLIC ACID, THEIR USE AS SENSITIZERS OR PHOTO INITIATORS AND POLYMERS CIBA-GEIGY AG (CH) 1984-03-07 — — EP disclosed
US-4367324-A Photocrosslinkable polymers with thioxanthone and imidyl groupings in side chains CIBA-GEIGY CORPORATION (US) 1983-01-04 — — US disclosed
US-4348530-A Thioxanthonecarboxylic acids, esters, thioesters and amides with reactive functional groups CIBA-GEIGY CORPORATION (US) 1982-09-07 — — US disclosed
EP-0033720-A1 Esters, thioesters and amides of thioxanthone carbonxylic acid, their use as sensitizers or photo initiators and polymers CIBA-GEIGY AG (CH) 1981-08-12 — — EP disclosed
EP-0033721-A1 Polymers cross-linkable by light with pending thioxanthone and imidyl groups, and process for preparing same CIBA-GEIGY AG (CH) 1981-08-12 — — 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 (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-20110159203-A1 RADIATION CURABLE COMPOSITIONS CCNH, ERH, RAD1 HNF4A 4541/4885BCAT2 828/4885ALDH1A1 1459/4885
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS RAD52, CCNH, TOP2B HNF4A 4014/4885BCAT2 951/4885ALDH1A1 1904/4885

“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.