SCHEMBL4541127

SCHEMBL4541127

O=C(c1ccccc1)c1ccc(CS)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
SRD5A2 P31213 3/20 0.58
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
IDO1 P14902 1/20 0.54
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
FOLH1 Q04609 1/20 0.52
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL1200737 0.91 SRD5A2 (0.48) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
SCHEMBL6659142 0.87 SRD5A2 (0.65) ALDH1A1SRD5A2FOLH1
SCHEMBL6050896 0.87 CES2 (0.65) ALDH1A1IDO1L3MBTL1FOLH1RAB9A
SCHEMBL15025047 0.83 SRD5A2 (0.41) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
SCHEMBL7889494 0.82 ALDH1A1 (0.67) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
SCHEMBL8094666 0.82 ALDH1A1 (0.67) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
SCHEMBL8091787 0.81 IDO1 (0.67) ALDH1A1SRD5A2IDO1L3MBTL1RAB9A
SCHEMBL314267 0.81 ALDH1A1 (0.93) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
SCHEMBL9066312 0.81 ALDH1A1 (0.93) ALDH1A1SRD5A2MAPK13MAPK12MAPK11
Benzoic Acid SCHEMBL28076089 0.80 FOLH1 (0.70) SRD5A2IDO1FOLH1CES2CES1

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
CN-113636962-B Method for preparing sulfoxide compound by catalyzing thioether compound oxidation through visible light excited aqueous solution quantum dots 大连理工大学 2022-05-10 CN disclosed
EP-3369751-A1 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2018-09-05 EP disclosed
EP-2638076-B1 NOVEL PHOTOINITIATORS COLOPLAST AS (DK) 2018-03-28 EP disclosed
US-9399633-B2 Photoinitiators COLOPLAST A/S (DK) 2016-07-26 US disclosed
US-20160060243-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2016-03-03 US disclosed
US-9212160-B2 Photoinitiators COLOPLAST A/S (DK) 2015-12-15 US disclosed
CN-103201296-B photoinitiator COLOPLAST AS 2015-04-29 CN disclosed
US-20150105565-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2015-04-16 US disclosed
US-8946449-B2 Photoinitiators COLOPLAST A/S (DK) 2015-02-03 US disclosed
US-20130296577-A1 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2013-11-07 US disclosed
EP-2638076-A2 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP disclosed
CN-103201296-A Novel photoinitiators COLOPLAST AS 2013-07-10 CN disclosed
WO-2012062332-A2 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO disclosed
EP-1311554-B1 METHOD FOR PRODUCING ADHESIVE POLYACRYLATES USING MERCAPTO FUNCTIONAL PHOTOINITIATORS TESA AG (DE) 2004-11-03 EP disclosed
EP-0888389-B1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2004-08-04 EP disclosed
US-20040049972-A1 Method for producing adhesive polyacrylates using mercapto functional photoinitiators TESA AG (DE) 2004-03-18 US disclosed
EP-0888389-A4 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2001-03-14 EP disclosed
US-5942555-A Photoactivatable chain transfer agents and semi-telechelic photoactivatable polymers prepared therefrom SURMODICS, INC. (US) 1999-08-24 US disclosed
EP-0888389-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SurModics, Inc. (US) 1999-01-07 EP disclosed
WO-1997034935-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS BSI CORPORATION (US) 1997-09-25 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 (3 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-20130296577-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PARG ALDH1A1 536/4885SRD5A2 3055/4885MAPK13 4019/4885
US-20160060243-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PPOX ALDH1A1 240/4885SRD5A2 2594/4885MAPK13 4272/4885
US-20150105565-A1 NOVEL PHOTOINITIATORS UROD, PUF60, PPOX ALDH1A1 240/4885SRD5A2 2594/4885MAPK13 4272/4885

“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.