SCHEMBL4807003

SCHEMBL4807003

Nc1nc(NCC(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
GABRA5 P31644 1/20 0.51
GABRB2 P47870 1/20 0.51
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL9074445 0.80 PTGS2 (0.36) HSD17B10GABRA5GABRB2MAPTRAB9A
SCHEMBL7966389 0.80 HSD17B10 (0.40) HSD17B10GABRA5GABRB2ALDH1A1MEN1
SCHEMBL28111505 0.79 GABRA5 (0.60) HSD17B10GABRA5GABRB2ALDH1A1MEN1
SCHEMBL4809888 0.79 MAPT (0.39) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL9076762 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL4809411 0.76 KDM4E (0.40) PLAUKDM4EPI4KBPTGS2
SCHEMBL27851069 0.76 HSD17B10 (0.47) HSD17B10GABRA5GABRB2ALDH1A1MEN1
SCHEMBL10777149 0.74 SMN1; SMN2 (0.42) HSD17B10GABRA5GABRB2ALDH1A1MEN1
SCHEMBL7122988 0.73 CDK5 (0.53) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL2642803 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58131975-A None JP disclosed
JP-52083836-A None JP disclosed
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed
US-4912212-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 US disclosed
US-4668783-A Thiazolylacetamido cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-26 US disclosed
US-4514565-A Thiazolylacetamido cephalosphorin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-30 US disclosed
JP-S58131975-A 2-AMINOTHIAZOL-4-YLGLYCINE DERIVATIVE TAKEDA CHEM IND LTD 1983-08-06 JP disclosed
US-4355160-A Thiazolylacetamido cephalosporin type compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 US disclosed
JP-S5283836-A 2-AMINOTHIAZOLE-4-YL GLYCINE DERIVATIVES TAKEDA CHEM IND LTD 1977-07-13 JP 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-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 HSD17B10 3317/4885GABRA5 4723/4885GABRB2 4805/4885

“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.