SCHEMBL2998819

SCHEMBL2998819

Cn1nc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.51
▸ ITGB7 P26010 1/20 0.51
▸ ITGB3 P05106 9/20 0.48
▸ ITGA2B P08514 9/20 0.48
▸ CTSK P43235 3/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TACR1 P25103 2/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 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
SCHEMBL2998824 1.00 ITGA4 (0.51) ITGA4ITGB7ITGB3ITGA2BCTSK
SCHEMBL19410123 0.81 SLC16A3 (0.48) ITGA4ITGB7ITGB3ITGA2BCTSK
SCHEMBL30711155 0.81 SLC16A3 (0.48) ITGA4ITGB7ITGB3ITGA2BCTSK
SCHEMBL19410121 0.81 SLC16A3 (0.48) ITGA4ITGB7ITGB3ITGA2BCTSK
SCHEMBL8486002 0.79 ADAM17 (0.49) ITGA4ITGB7ITGB3ITGA2BCTSK
SCHEMBL9082551 0.79 ADAM17 (0.49) ITGA4ITGB7ITGB3ITGA2BCTSK
SCHEMBL479010 0.77 TACR1 (0.68) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL220648 0.77 TACR1 (0.68) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL7372270 0.77 TACR1 (0.68) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL219151 0.77 TACR1 (0.68) ITGB3ITGA2BCTSKCTSLCTSB

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-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 — — EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 — — US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ITGA4 4230/4885ITGB7 3438/4885ITGB3 3113/4885

“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.

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