SCHEMBL3860997

SCHEMBL3860997

CCC(Cc1ccc(Br)cc1)OC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
LMNA P02545 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 1/20 0.43
TSHR P16473 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
IMPDH2 P12268 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3867050 0.88 LMNA (0.49) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3861463 0.87 LMNA (0.44) LMNAPDK1PDK2PDK3PDK4
SCHEMBL27641762 0.80 LMNA (0.47) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3863337 0.79 LMNA (0.44) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3857891 0.77 MGLL (0.54) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL4607143 0.75 PDK1 (0.49) LMNAPDK1PDK2PDK3PDK4
SCHEMBL3868137 0.73 CA12 (0.51) LMNAPDK1PDK2PDK3PDK4
SCHEMBL4598556 0.73 MAPT (0.62) LMNAPDK1PDK2PDK3PDK4
SCHEMBL6585108 0.72 MAPT (0.80) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL3860991 0.71 KMT2A (0.45) LMNAPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 CTSL 34/4885CTSB 92/4885CTSK 101/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 CTSL 34/4885CTSB 92/4885CTSK 101/4885

“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.