SCHEMBL12373508

SCHEMBL12373508

C[C@H]1CC[C@@H](c2nc3cc(Br)ccc3[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.37
HCRTR2 O43614 7/20 0.37
CDK1 P06493 1/20 0.37
USP30 Q70CQ3 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PAX8 Q06710 1/20 0.33
CHEK2 O96017 1/20 0.33
POLB P06746 1/20 0.33
JAK1 P23458 1/20 0.33
RORC P51449 2/20 0.32

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
SCHEMBL10201184 0.92 HCRTR1 (0.45) HCRTR1HCRTR2HTTCHEK2
SCHEMBL12146838 0.85 PARP1 (0.37) HCRTR1HCRTR2CDK1USP30MEN1
SCHEMBL18731370 0.85 PARP1 (0.37) HCRTR1HCRTR2CDK1USP30MEN1
SCHEMBL18731112 0.85 PARP1 (0.37) HCRTR1HCRTR2CDK1USP30MEN1
SCHEMBL10200239 0.85 GABRG2 (0.40) HCRTR1HCRTR2CHEK2JAK1
SCHEMBL19488584 0.85 YAP1 (0.42)
SCHEMBL10201761 0.84 USP30 (0.34) HCRTR1HCRTR2CDK1USP30BACE1
SCHEMBL19488783 0.84 USP30 (0.34) HCRTR1HCRTR2CDK1USP30BACE1
SCHEMBL1293358 0.83 CDK1 (0.36) HCRTR1HCRTR2CDK1USP30MEN1
SCHEMBL1293357 0.83 CDK1 (0.36) HCRTR1HCRTR2CDK1USP30MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885CDK1 1242/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885CDK1 1242/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885CDK1 1242/4885

“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.