SCHEMBL3133288

SCHEMBL3133288

COC(=O)[C@H](Cc1ccc(OCC2CCCCC2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
ITGAV P06756 1/20 0.55
YAP1 P46937 3/20 0.54
CYP3A4 P08684 3/20 0.53
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL9483288 0.85 PPARG (0.67) CTSSCTSKITGB3ITGA2BYAP1
SCHEMBL9483283 0.85 PPARG (0.67) CTSSCTSKITGB3ITGA2BYAP1
SCHEMBL3131416 0.85 ITGB3 (0.55) CTSSCTSKITGB3ITGA2BITGAV
SCHEMBL7538553 0.84 YAP1 (0.51) CTSSCTSKYAP1TSHRALDH1A1
SCHEMBL7538549 0.84 YAP1 (0.51) CTSSCTSKYAP1TSHRALDH1A1
SCHEMBL3135920 0.84 CTSS (0.54) CTSSCTSKITGB3ITGA2BITGAV
SCHEMBL7326259 0.84 YAP1 (0.53) CTSSCTSKITGB3ITGA2BITGAV
SCHEMBL3500200 0.84 CACNA1B (0.56) ITGB3ITGA2BYAP1ALDH1A1MEN1
SCHEMBL3500202 0.84 CACNA1B (0.56) ITGB3ITGA2BYAP1ALDH1A1MEN1
SCHEMBL7539252 0.83 ALDH1A1 (0.50) CTSSCTSKYAP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 CTSS 330/4885CTSK 189/4885ITGB3 3487/4885

“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.