SCHEMBL5597240

SCHEMBL5597240

S=C(OCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
IDO1 P14902 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
AGXT P21549 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
SCHEMBL26127977 1.00 TDP1 (0.59) TDP1KMT2ACA12CA1CA2
Thiobenzoic Acid SCHEMBL36460 0.94 TDP1 (0.53) TDP1KMT2ACA12CA1CA2
SCHEMBL28683220 0.91 KMT2A (0.50) TDP1KMT2ACA12CA1CA2
Thiobenzoic Acid SCHEMBL23927738 0.91 TDP1 (0.50) TDP1KMT2ACA12CA1CA2
Toluene SCHEMBL29087078 0.91 KMT2A (0.50) TDP1KMT2ACA12CA1CA2
SCHEMBL10518901 0.90 LMNA (0.62) TDP1KMT2ACA12CA1CA2
SCHEMBL8560951 0.88 KMT2A (0.47) TDP1KMT2ACA12CA1CA2
Thiobenzoic Acid SCHEMBL28352009 0.85 ALDH1A1 (0.47) TDP1KMT2ACA12CA1CA2
SCHEMBL8558996 0.84 NPC1 (0.54) TDP1KMT2ACA12CA1CA2
SCHEMBL15282039 0.82 NR4A1 (0.54) TDP1KMT2ACA12CA1CA2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102942661-B Intelligent thermo-sensitive glycosyl hydrogel with dumbbell structure and preparation method of hydrogel UNIV NANTONG 2014-07-09 CN claimed
CN-102964547-A PH response glycosyl intelligent hydrogel with segmented structure and preparation method thereof UNIV NANTONG 2013-03-13 CN claimed
CN-102942661-A Intelligent thermo-sensitive glycosyl hydrogel with dumbbell structure and preparation method of hydrogel UNIV NANTONG 2013-02-27 CN claimed
CN-102731354-A Preparation and plant growth-regulating activity of water-oil soluble o-(4-chloro) benzylthio-benzoate derivatives UNIV NANKAI 2012-10-17 CN claimed
CN-100366646-C Polymer charge-conveying materials and preparing method thereof UNIV FUDAN (CN) 2008-02-06 CN claimed
EP-1136521-B1 Process for preparing an ocular lens material having hydrophilic surface MENICON CO LTD (JP) 2007-02-21 EP claimed
CN-1869081-A Method of one step synthesizing star polymer by free radical polymerization CHINESE ACAD INST CHEMISTRY (CN) 2006-11-29 CN claimed
US-6533415-B2 Ocular lens material having hydrophilic surface and process for preparing the same MENICON CO., LTD. (JP) 2003-03-18 US claimed
US-20010050749-A1 Ocular lens material having hydrophilic surface and process for preparing the same MENICON CO., LTD. (JP) 2001-12-13 US claimed
EP-1136521-A2 Ocular lens material having hydrophilic surface and process for preparing the same Menicon Co., Ltd. (JP) 2001-09-26 EP claimed
CN-113620764-B Preparation method of sulfonyl thioester 武汉瑞晟药业有限公司 2024-06-18 CN disclosed
US-11078157-B1 Compound embodiments that release H2S by reaction with a reactive compound and methods of making and using the same UNIVERSITY OF OREGON (US) 2021-08-03 US disclosed
CN-109721694-A Segmented copolymer and its preparation method and application and lubricant compositions 中国石油化工股份有限公司 2019-05-07 CN disclosed
CN-109721696-A Di-block copolymer and its preparation method and application and lubricant compositions 中国石油化工股份有限公司 2019-05-07 CN disclosed
CN-109721695-A Block copolymer and its preparation method and application and nylon/PPS intermingling material 中国石油化工股份有限公司 2019-05-07 CN disclosed
EP-0586379-B1 POLYMERISATION REGULATION COMMW SCIENT IND RES ORG (AU) 1998-05-20 EP disclosed
US-5739228-A Polymerization using thionoester compounds as chain transfer agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1998-04-14 US disclosed
EP-0586379-A1 POLYMERISATION REGULATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-03-16 EP disclosed
EP-0586379-A4 POLYMERISATION REGULATION. COMMW SCIENT IND RES ORG (AU) 1993-12-10 EP disclosed
WO-1992013903-A1 POLYMERISATION REGULATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1992-08-20 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-11078157-B1 Compound embodiments that release H2S by reaction with a reactive compound and methods of making and using the same CBS, SQOR, QSOX1 TDP1 2554/4885KMT2A 2108/4885CA12 2245/4885

“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.