SCHEMBL8164259

SCHEMBL8164259

CC(C)c1ccc2c(c1)C(=O)N[C@@H]2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.42
HPGD P15428 2/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TNKS O95271 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
LMNA P02545 1/20 0.40
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
NR1H3 Q13133 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
RNASEH1 O60930 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8179929 1.00 TNKS2 (0.42) TNKS2HPGDGFERHSD17B10TNKS
SCHEMBL12219904 1.00 TNKS2 (0.42) TNKS2HPGDGFERHSD17B10TNKS
SCHEMBL12240951 0.82 MKNK2 (0.33) TNKS2HPGDHSD17B10TNKSPARP3
SCHEMBL13488124 0.82 MKNK2 (0.33) TNKS2HPGDHSD17B10TNKSPARP3
SCHEMBL12241460 0.77 KDM4E (0.44) TNKS2HPGDHSD17B10KDM4EALDH1A1
SCHEMBL12240953 0.77 KDM4E (0.44) TNKS2HPGDHSD17B10KDM4EALDH1A1
SCHEMBL12241449 0.77 KDM4E (0.44) TNKS2HPGDHSD17B10KDM4EALDH1A1
SCHEMBL8178860 0.76 HPGD (0.42) TNKS2HPGDGFERHSD17B10TNKS
SCHEMBL8178838 0.76 HPGD (0.42) TNKS2HPGDGFERHSD17B10TNKS
SCHEMBL12219903 0.76 HPGD (0.42) TNKS2HPGDGFERHSD17B10TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 TNKS2 2887/4885HPGD 4578/4885GFER 1319/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 TNKS2 3763/4885HPGD 4120/4885GFER 2215/4885

“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.