SCHEMBL3045320

SCHEMBL3045320

C[C@@](O)(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@](C)(O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
EP300 Q09472 2/20 0.50
CREBBP Q92793 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
PABPC1 P11940 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 4/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3042978 1.00 F2 (0.52) F2CYP2C9CYP2C19EP300CREBBP
SCHEMBL18887550 1.00 F2 (0.52) F2CYP2C9CYP2C19EP300CREBBP
SCHEMBL3049175 0.90 EP300 (0.61) CYP2C9CYP2C19EP300CREBBPALDH1A1
SCHEMBL14723789 0.90 KCNH2 (0.55) F2CYP2C9CYP2C19EP300CREBBP
SCHEMBL3042995 0.88 PABPC1 (0.55) CYP2C9CYP2C19EP300CREBBPALDH1A1
SCHEMBL845452 0.87 F2 (0.52) F2CYP2C9CYP2C19EP300CREBBP
SCHEMBL3033434 0.87 CYP2C9 (0.48) CYP2C9CYP2C19EP300CREBBPALDH1A1
SCHEMBL3033495 0.86 F2 (0.49) F2EP300CREBBPALDH1A1PABPC1
SCHEMBL2176369 0.85 F2 (0.50) F2CYP2C9CYP2C19EP300CREBBP
SCHEMBL2176361 0.85 F2 (0.50) F2CYP2C9CYP2C19EP300CREBBP

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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
WO-2010039793-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-08 WO disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS F2 1997/4885CYP2C9 2585/4885CYP2C19 3369/4885

“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.