SCHEMBL3033495

SCHEMBL3033495

C[C@@](O)(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@](C)(O)c3ccccc3)nc2)cn1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
CNR2 P34972 5/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
EP300 Q09472 2/20 0.42
CREBBP Q92793 2/20 0.42
MAPK10 P53779 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 2/20 0.40
PABPC1 P11940 1/20 0.40
TSHR P16473 1/20 0.40
PDF Q9HBH1 1/20 0.39

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 0.86 F2 (0.52) F2LMNAALDH1A1SMN1; SMN2EP300
SCHEMBL3045320 0.86 F2 (0.52) F2LMNAALDH1A1SMN1; SMN2EP300
SCHEMBL18887550 0.86 F2 (0.52) F2LMNAALDH1A1SMN1; SMN2EP300
SCHEMBL13379461 0.82 NPC1 (0.58) LMNAALDH1A1SMN1; SMN2EP300CREBBP
SCHEMBL3043835 0.80 KCNH2 (0.45) F2CNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL13379445 0.80 LMNA (0.46) LMNAALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL3040998 0.78 CYP2C19 (0.56) LMNAALDH1A1SMN1; SMN2GAAEP300
SCHEMBL18887499 0.78 CYP2C19 (0.56) LMNAALDH1A1SMN1; SMN2GAAEP300
SCHEMBL14723789 0.78 KCNH2 (0.55) F2LMNAALDH1A1EP300CREBBP
SCHEMBL3049175 0.76 EP300 (0.61) LMNAALDH1A1SMN1; SMN2EP300CREBBP

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 3 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-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 1997/4885CNR2 3204/4885LMNA 3159/4885

“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.