SCHEMBL756470

SCHEMBL756470

COc1cnc(C(=O)O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
CDC25B P30305 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK1 P53350 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
SCHEMBL753242 0.80 PLAU (0.52) ALOX15KMT2AMEN1PKMCDC25B
SCHEMBL7392181 0.77 PLAU (0.46) ALOX15KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4077902 0.74 CA12 (0.46) ALOX15KMT2AMEN1PKMCDC25B
SCHEMBL12751214 0.74 CDK9 (0.39) ALOX15KMT2AMEN1ALDH1A1CDK9
SCHEMBL7279023 0.74 KDM4E (0.47) ALOX15ALDH1A1CYP2C9SMN1; SMN2KDM4E
SCHEMBL12054562 0.74 CA1 (0.43) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL14641674 0.74 PTGDR2 (0.46) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL11608942 0.73 MAPT (0.42) KMT2AMEN1CDC25BPOLB
SCHEMBL7638168 0.73 ALOX15 (0.53) ALOX15KMT2AMEN1CDC25BALDH1A1
SCHEMBL8789401 0.73 POLB (0.44) ALOX15KMT2AMEN1CDC25BALDH1A1

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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 WO disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102568-A1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102694-A1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (4 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL ALOX15 2488/4885KMT2A 4482/4885MEN1 4863/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALOX15 2436/4885KMT2A 4516/4885MEN1 4867/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALOX15 2436/4885KMT2A 4516/4885MEN1 4867/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALOX15 2436/4885KMT2A 4516/4885MEN1 4867/4885

“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.