SCHEMBL4679989

SCHEMBL4679989

O=C(CS)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 2/20 0.47
CYP19A1 P11511 2/20 0.46
EPHX1 P07099 2/20 0.44
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL1405464 0.98 CYP2C19 (0.53) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL11546661 0.92 NAAA (0.49) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL11546677 0.92 NAAA (0.49) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL331246 0.90 TSHR (0.42) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL15921260 0.90
SCHEMBL11547705 0.90 NAAA (0.50) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL11547722 0.90 NAAA (0.50) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL25475321 0.80 CPN1 (0.40) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL11600264 0.80 CYP19A1 (0.50) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL5829801 0.80 NAAA (0.58) NAAACYP2C19HTTCYP19A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
CN-104370909-B Tricyclic compound ABBVIE 公司 2018-09-11 CN disclosed
US-9321779-B2 Intermediate for synthesizing caspofungin and preparation method thereof UNITRIS BIOPHARMA CO., LTD. (CN) 2016-04-26 US disclosed
US-20140058082-A1 INTERMEDIATE FOR SYNTHESIZING CASPOFUNGIN AND PREPARATION METHOD THEREOF UNITRIS BIOPHARMA CO., LTD. (CN) 2014-02-27 US disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
US-5521145-A Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1996-05-28 US disclosed
EP-0683160-A1 Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-22 EP disclosed
US-4652670-A Cycloalkyl esters of mercaptoalkanoic acids INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-03-24 US disclosed
US-4590082-A FOR FOODS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-05-20 US disclosed
EP-0011456-B1 ORGANOTIN COMPOUNDS AND RESINS OR POLYMERS STABILIZED THEREWITH M & T CHEMICALS, INC. (US) 1983-09-07 EP disclosed
US-4254017-A HEAT STABILIZER FOR POLYVINYL CHLORIDE M&T CHEMICALS INC. (US) 1981-03-03 US disclosed
EP-0011456-A1 Organotin compounds and resins or polymers stabilized therewith M & T CHEMICALS, INC. (US) 1980-05-28 EP disclosed
US-4120845-A FOR VINYL OR VINYLIDENE HALIDE POLYMERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1978-10-17 US disclosed
US-4062881-A POLYVINYL CHLORIDE CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-12-13 US 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-20140058082-A1 INTERMEDIATE FOR SYNTHESIZING CASPOFUNGIN AND PREPARATION METHOD THEREOF CYP51A1, CASP1, PRF1 NAAA 1018/4885CYP2C19 64/4885HTT 3811/4885

“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.