SCHEMBL3999942

SCHEMBL3999942

Nc1nc(CON=CC(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.51
GABRB2 P47870 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 2/20 0.47
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOS1 P29475 1/20 0.39
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2789164 1.00 GABRA5 (0.51) GABRA5GABRB2HSD17B10MAPTRAB9A
Hydrochloric Acid SCHEMBL8913011 0.99 GABRA5 (0.50) GABRA5GABRB2HSD17B10MAPTRAB9A
SCHEMBL4824847 0.88 GABRA5 (0.47) GABRA5GABRB2HSD17B10MAPTRAB9A
SCHEMBL8526934 0.86 GABRA5 (0.49) GABRA5GABRB2HSD17B10MAPTRAB9A
SCHEMBL8896790 0.82 NPC1 (0.47) GABRA5GABRB2HSD17B10MAPTRAB9A
SCHEMBL8896803 0.82 NPC1 (0.47) GABRA5GABRB2HSD17B10MAPTRAB9A
Water SCHEMBL7801342 0.79 GABRA5 (0.55) GABRA5GABRB2HSD17B10MAPTRAB9A
SCHEMBL5318279 0.78 NPC1 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5318277 0.78 NPC1 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9089346 0.78 MAPT (0.44) GABRA5GABRB2HSD17B10MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO claimed
EP-0533047-B1 Preparation of a cephalosporin antibiotic using the synisomer of a thiazolyl intermediate BRISTOL MYERS SQUIBB CO (US) 2003-05-07 EP claimed
EP-0620228-B1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD (KR) 1998-03-11 EP claimed
US-7511135-B2 Method for manufacture of ceftiofur LUPIN LIMITED (IN) 2009-03-31 US disclosed
US-20080207912-A1 Method for manufacture of ceftiofur LUPIN LIMITED 2008-08-28 US disclosed
EP-1556388-B1 A METHOD FOR MANUFACTURE OF CEFTIOFUR LUPIN LTD (IN) 2007-09-19 EP disclosed
CN-1321989-C AE-active ester chemical synthesizing method UNIV ZHEJIANG POLYTECHNIC (CN) 2007-06-20 CN disclosed
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO disclosed
CN-1269776-C Process for producing carboxylic acid derivative and condensing agent comprising quaternary ammonium salt TOKUYAMA CORP (JP) 2006-08-16 CN disclosed
US-20060149054-A1 Method for manufacture of ceftiofur LUPIN LIMITED (IN) 2006-07-06 US disclosed
US-20050245498-A1 Sterically-awkward beta-lactamase inhibitors NORTHWESTERN UNIVERSITY 2005-11-03 US disclosed
US-5502200-A Reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY, LTD. (KR) 1996-03-26 US disclosed
EP-0628561-A1 Process for preparing cephalosporin compounds from reactive organic acid derivatives LUCKY LTD. (KR) 1994-12-14 EP disclosed
EP-0620228-A1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD. (KR) 1994-10-19 EP disclosed
US-4754031-A Preparation of cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0062876-B1 2-OXO-1-(((SUBSTITUTED SULFONYL)AMINO)CARBONYL)AZETIDINES E.R. Squibb & Sons, Inc. (US) 1986-09-24 EP disclosed
US-4587047-A 2-oxo-1-[[(substituted sulfonyl)amino]-carbonyl]azetidines E. R. SQUIBB & SONS, INC. (US) 1986-05-06 US disclosed
EP-0108994-A1 Process for preparation of optically active (4R)-substituted monocyclic beta-lactam compounds KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-05-23 EP disclosed
US-4426528-A Purification of syn-(2-aminothiazol-4-yl)methoxyimino)acetic acid ELI LILLY AND COMPANY (US) 1984-01-17 US disclosed
EP-0062876-A1 2-Oxo-1-(((substituted sulfonyl)amino)carbonyl)azetidines E.R. Squibb & Sons, Inc. (US) 1982-10-20 EP 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-20080207912-A1 Method for manufacture of ceftiofur APEH, COASY, PCMT1 GABRA5 2826/4885GABRB2 2613/4885HSD17B10 485/4885
US-20060149054-A1 Method for manufacture of ceftiofur APEH, COASY, PCMT1 GABRA5 2706/4885GABRB2 2505/4885HSD17B10 499/4885
US-20050245498-A1 Sterically-awkward beta-lactamase inhibitors AGL, MGAM, PGLS GABRA5 1624/4885GABRB2 984/4885HSD17B10 1362/4885

“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.