SCHEMBL4598758

SCHEMBL4598758

O=C(CNC(=O)OCc1ccccc1)NCC1CC(Br)=NO1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.62
ALDH1A1 P00352 1/20 0.51
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
MAPK1 P28482 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
CYP3A4 P08684 1/20 0.42
FUCA1 P04066 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9825352 0.92 TGM2 (0.68) TGM2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5141369 0.89 TGM2 (0.60) TGM2LMNAHTTSMN1; SMN2
SCHEMBL5141370 0.89 TGM2 (0.60) TGM2LMNAHTTSMN1; SMN2
SCHEMBL9826245 0.88 ALDH1A1 (0.50) TGM2ALDH1A1LMNAKDM1ARCOR1
SCHEMBL9826155 0.86 ALDH1A1 (0.48) TGM2ALDH1A1LMNAKDM1ARCOR1
SCHEMBL9826249 0.83 ALDH1A1 (0.46) TGM2ALDH1A1KDM1ARCOR1MAPK1
SCHEMBL1092076 0.82 TGM2 (0.67) TGM2
SCHEMBL1092077 0.82 TGM2 (0.67) TGM2
SCHEMBL6004049 0.81 TGM2 (0.64) TGM2
SCHEMBL1103747 0.81 TGM2 (0.72) TGM2TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed
US-20080299170-A1 Medical Devices and Coatings Therefor ASTON UNIVERSITY (GB) 2008-12-04 US disclosed
EP-1907027-A2 MEDICAL DEVICES AND COATINGS THEREFOR Aston University (GB) 2008-04-09 EP disclosed
WO-2007010201-A2 MEDICAL DEVICES AND COATINGS THEREFOR ASTON UNIVERSITY (GB) 2007-01-25 WO disclosed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 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 (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-20080299170-A1 Medical Devices and Coatings Therefor F8, HABP2, TFPI TGM2 16/4885ALDH1A1 3341/4885LMNA 1732/4885

“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.