SCHEMBL1539908

SCHEMBL1539908

CCc1nc(N)sc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
CYP1A2 P05177 1/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
HPGD P15428 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL5221270 0.87 ALDH1A1 (0.44) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL27821918 0.84 GABRP (0.50) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL3798188 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL3618179 0.82 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDHSD17B10MAPT
SCHEMBL11338473 0.82 GABRP (0.45) ALDH1A1CYP1A2GABRPGABRDGABRA1
SCHEMBL1540028 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDHSD17B10MAPT
SCHEMBL5225289 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDHSD17B10MAPT
SCHEMBL859765 0.79 ALDH1A1 (0.69) ALDH1A1CYP1A2HPGDHSD17B10MAPT
SCHEMBL9368491 0.78 L3MBTL1 (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL9642917 0.78 RAB9A (0.40) ALDH1A1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610780-B2 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2022-11-23 EP disclosed
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 US disclosed
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
CN-107108601-A Glycosidase inhibitor 阿森纽荣股份公司 2017-08-29 CN disclosed
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-09-15 US disclosed
US-9382219-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-05 US disclosed
EP-2532662-B1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD (CN) 2016-01-27 EP disclosed
US-9108954-B2 Synthesis process of dasatinib and intermediate thereof NAN JING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD. (CN) 2015-08-18 US disclosed
US-6596746-B1 protein tyrosine kinase-associated disorders such as immunologic and oncologic disorders; dasatinib BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP disclosed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO disclosed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed
US-4602937-A PLANT SAFENING AGENTS, ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US disclosed
US-4199506-A REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1980-04-22 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 (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-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK ALDH1A1 4758/4885CYP1A2 4813/4885GABRP 1896/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK ALDH1A1 4758/4885CYP1A2 4813/4885GABRP 1896/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK ALDH1A1 4758/4885CYP1A2 4813/4885GABRP 1896/4885

“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.