SCHEMBL4934790

SCHEMBL4934790

COc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)ccc1OC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.71
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSB P07858 3/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CTSK P43235 1/20 0.44

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
SCHEMBL9825566 0.90 TGM2 (0.77) TGM2MEN1KMT2ACTSBCTSL
SCHEMBL4934255 0.86 TGM2 (0.75) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825778 0.86 TGM2 (0.84) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825687 0.86 TGM2 (0.84) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091157 0.85 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091121 0.85 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091124 0.85 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL3015992 0.85 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091158 0.85 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825796 0.85 TGM2 (0.74) TGM2CTSBCTSLCTSSCYP1A2

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 5 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
US-20080299170-A1 Medical Devices and Coatings Therefor ASTON UNIVERSITY (GB) 2008-12-04 US 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

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 16/4885MEN1 652/4885KMT2A 785/4885

“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.