SCHEMBL6791300

SCHEMBL6791300

CON=C(C(=O)OC(=O)OC)c1csc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
NR1I2 O75469 4/20 0.45
PGR P06401 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2C P28335 1/20 0.41
ALB P02768 1/20 0.40
PPARG P37231 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
PTGS1 P23219 2/20 0.39

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
SCHEMBL6095828 0.92 MAPT (0.47) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL7076737 0.89 MAPT (0.48) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL7076742 0.89 MAPT (0.48) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL7074339 0.84 NR1I2 (0.45) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL7074341 0.84 NR1I2 (0.45) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL8313617 0.83 MAPT (0.44) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL27360895 0.83 MAPT (0.44) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL9982497 0.81 MAPT (0.48) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL19236061 0.81 MAPT (0.48) ITGB1ITGA4NR1I2PGRPTGS2
SCHEMBL10263157 0.81 MAPT (0.49) ITGB1ITGA4NR1I2PGRPTGS2

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 ITGB1 4824/4885ITGA4 4825/4885NR1I2 2701/4885

“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.