SCHEMBL2998428

SCHEMBL2998428

CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H](N)Cc2cccc(C(N)=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.61
STAT3 P40763 2/20 0.48
ROCK2 O75116 3/20 0.44
F2 P00734 3/20 0.42
TMPRSS6 Q8IU80 2/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CIT O14578 1/20 0.41
FOLH1 Q04609 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 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
SCHEMBL2998430 1.00 SLC7A5 (0.61) SLC7A5STAT3ROCK2F2TMPRSS6
SCHEMBL3010169 0.92 SLC7A5 (0.65) SLC7A5STAT3ROCK2F2FOLH1
SCHEMBL3010175 0.92 SLC7A5 (0.65) SLC7A5STAT3ROCK2F2FOLH1
SCHEMBL27786669 0.90 SLC7A5 (0.48) SLC7A5STAT3ROCK2PARP1PARP10
SCHEMBL27786668 0.90 SLC7A5 (0.48) SLC7A5STAT3ROCK2PARP1PARP10
SCHEMBL2995178 0.87 SLC7A5 (0.56) SLC7A5STAT3ROCK2CIT
SCHEMBL2995175 0.87 SLC7A5 (0.56) SLC7A5STAT3ROCK2CIT
Hydrochloric Acid SCHEMBL23466585 0.85 SLC7A5 (0.55) SLC7A5STAT3ROCK2CITKMT2A
SCHEMBL24514176 0.82 ADRB2 (0.47) SLC7A5STAT3ROCK2KMT2ASMN1; SMN2
SCHEMBL29145362 0.82 ADRB2 (0.47) SLC7A5STAT3ROCK2KMT2ASMN1; SMN2

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-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
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO 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 SLC7A5 1557/4885STAT3 2662/4885ROCK2 3532/4885

“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.