SCHEMBL6791297

SCHEMBL6791297

CO/N=C(\C(=O)O)C(=O)OCc1csc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOS1 P29475 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 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
SCHEMBL9627288 0.80 GABRA5 (0.43) GABRA5GABRB2HSD17B10ALDH1A1NPC1
SCHEMBL354383 0.75 GABRA5 (0.54) GABRA5GABRB2HSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL3938906 0.74 GABRA5 (0.53) GABRA5GABRB2HSD17B10ALDH1A1NPC1
SCHEMBL10447417 0.71 GABRA5 (0.34) GABRA5GABRB2HSD17B10ALDH1A1NPC1
SCHEMBL958545 0.69
SCHEMBL222254 0.69 HSD17B10 (0.64) GABRA5GABRB2HSD17B10ALDH1A1NPC1
SCHEMBL9627283 0.69 GABRA5 (0.45) GABRA5GABRB2HSD17B10ALDH1A1NPC1
SCHEMBL7071564 0.69 ITGB1 (0.46) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL7071663 0.69 ITGB1 (0.46) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL10440125 0.69 GABRA5 (0.50) GABRA5GABRB2HSD17B10ALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087787-A1 Novel thioester derivatives of thiazolyl acetic acid and their use in the preparation of cephalosporin compounds ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-05-06 US disclosed
EP-1347970-A1 NOVEL THIOESTER DERIVATIVES OF THIAZOLYL ACETIC ACID AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS Orchid Chemicals and Pharmaceuticals Limited (IN) 2003-10-01 EP disclosed
WO-2002053563-A1 NOVEL THIOESTER DERIVATIVES OF THIAZOLYL ACETIC ACID AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2002-07-11 WO disclosed
US-6388070-B1 CHEMICAL INTERMEDIATE ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2002-05-14 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-20040087787-A1 Novel thioester derivatives of thiazolyl acetic acid and their use in the preparation of cephalosporin compounds ACOT7, ACACA, COASY GABRA5 2914/4885GABRB2 3811/4885HSD17B10 72/4885

“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.