SCHEMBL3007552

SCHEMBL3007552

Cc1cc(CC(NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)nn1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
NTRK1 P04629 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 4/20 0.35
LMNA P02545 1/20 0.35
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
SCN9A Q15858 1/20 0.34
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34
MAPT P10636 4/20 0.33
HDAC3 O15379 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33

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
SCHEMBL3661777 0.86 ATM (0.34) KDM4ELMNANPSR1ATM
SCHEMBL3005035 0.83 ITGB3 (0.42) SCN9AAKT1ITGB3ITGB1ITGAV
SCHEMBL3008460 0.82 KLK5 (0.39) AKT1ITGB3ITGA2B
SCHEMBL23486619 0.75 HDAC8 (0.40) HDAC8NTRK1MEN1KMT2ASCN9A
SCHEMBL3004093 0.75 LMNA (0.40) KDM4ELMNAMAPT
SCHEMBL23486561 0.73 HDAC8 (0.45) HDAC8CA12CA1CA2CA4
SCHEMBL24514012 0.71 HDAC8 (0.56) HDAC8AKT1ITGB3ITGB1ITGAV
SCHEMBL18475119 0.71 HDAC8 (0.56) HDAC8NTRK1AKT1ITGB3ITGB1
SCHEMBL24514586 0.71 HDAC8 (0.56) HDAC8MEN1KMT2AAKT1ITGB3
SCHEMBL21387204 0.71 HDAC8 (0.56) HDAC8NTRK1AKT1ITGB3ITGB1

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 HDAC8 1444/4885CA12 1208/4885CA1 782/4885

“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.