SCHEMBL5660197

SCHEMBL5660197

O=C(O)c1cnc(S)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.56
P4HTM Q9NXG6 2/20 0.56
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
HCAR2 Q8TDS4 3/20 0.50
MIF P14174 1/20 0.48
LDHA P00338 1/20 0.47
NAPRT Q6XQN6 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46

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
SCHEMBL4886683 0.80 ALDH1A1 (0.58) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL23193160 0.77 NNMT (0.50) P4HA1P4HTMHSD17B10KDM4ECYP2C19
SCHEMBL185448 0.76 ALDH1A1 (0.54) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL3705899 0.76 ALDH1A1 (0.54) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL11457022 0.75 ALDH1A1 (0.58) ALDH1A1ALOX15LDHAMAPT
SCHEMBL63857 0.74 NAPRT (0.58) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL16749632 0.74 ALDH1A1 (0.52) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL186175 0.74 GABRP (0.58) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL4600260 0.74 ALDH1A1 (0.52) P4HA1P4HTMALDH1A1HSD17B10KDM4E
SCHEMBL29345465 0.74 ALDH1A1 (0.52) P4HA1P4HTMALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683202-B Boric acid compound SYNTRIX生物系统公司 2019-05-10 CN claimed
CN-105683202-A 2- [5- [ N- (4-fluorophenyl) carbamoyl ] pyrimidin-2-ylmethylsulfanylmethyl ] -4- (trifluoromethoxy) phenyl ] boronic acid SYNTRIX生物系统公司 2016-06-15 CN claimed
EP-3027627-A1 2- [5- [N- (4 -FLUOROPHENYL) CARBAMOYL]PYRIMIDIN- 2 - YLSULFANYLMETHYL]-4- (TRIFLUOROMET HOXY) PHENYL]BORONIC ACID Syntrix Biosystems, Inc. (US) 2016-06-08 EP claimed
US-8969365-B2 Thiopyrimidinecarboxamides as CXCR1/2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-03 US claimed
WO-2015016938-A1 2- [5- [N- (4 -FLUOROPHENYL) CARBAMOYL] PYRIMIDIN- 2 - YLSULFANYLMETHYL] -4- (TRIFLUOROMET HOXY) PHENYL] BORONIC ACID SYNTRIX BIOSYSTEMS, INC. (US) 2015-02-05 WO claimed
US-20150038461-A1 THIOPYRIMIDINECARBOXAMIDES AS CXCR1/2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2015-02-05 US claimed
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-06-01 US disclosed
US-10561676-B2 Method for treating cancer using dual antagonists of CXCR1 and CXCR2 SYNTRIX BIOSYSTEMS INC. (US) 2020-02-18 US disclosed
CN-110200979-A A kind of boronic acid compounds SYNTRIX生物系统公司 2019-09-06 CN disclosed
CN-107312012-B Pyrimido phenodiazine * analog derivative and its medical usage 北京师范大学 2019-07-12 CN disclosed
CN-105683202-B Boric acid compound SYNTRIX生物系统公司 2019-05-10 CN disclosed
US-10130645-B2 Use of thiopyrimidinecarboxamide for treating cancer SYNTRIX BIOSYSTEMS, INC. (US) 2018-11-20 US disclosed
US-20180296580-A1 METHOD FOR TREATING CANCER USING DUAL ANTAGONISTS OF CXCR1 AND CXCR2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-18 US disclosed
EP-1119528-B1 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LTD (GB) 2002-08-28 EP disclosed
EP-1218319-A1 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
EP-1119528-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2001-08-01 EP disclosed
EP-1119529-A2 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2001-08-01 EP disclosed
WO-2001025171-A1 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2001-04-12 WO disclosed
WO-2000020357-A2 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2000-04-13 WO disclosed
WO-2000020112-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2000-04-13 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 (5 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-20150038461-A1 THIOPYRIMIDINECARBOXAMIDES AS CXCR1/2 MODULATORS CXCR1, CXCR5, CXCR2 P4HA1 1645/4885P4HTM 1846/4885ALDH1A1 1648/4885
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound CUTA, POLR1C, ASIC1 P4HA1 1935/4885P4HTM 1981/4885ALDH1A1 639/4885
US-10561676-B2 Method for treating cancer using dual antagonists of CXCR1 and CXCR2 CXCR2, CXCR1, CXCR5 P4HA1 964/4885P4HTM 1786/4885ALDH1A1 2100/4885
US-20180296580-A1 METHOD FOR TREATING CANCER USING DUAL ANTAGONISTS OF CXCR1 AND CXCR2 CXCR2, CXCR1, CXCR5 P4HA1 964/4885P4HTM 1786/4885ALDH1A1 2100/4885
US-10130645-B2 Use of thiopyrimidinecarboxamide for treating cancer TYMP, FLT4, VEGFA P4HA1 1596/4885P4HTM 1856/4885ALDH1A1 1772/4885

“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.