Sugi Predict

Sugi Predict / Compounds / SCHEMBL2892863

SCHEMBL2892863

SCHEMBL2892863

COc1cc2nc(-c3ccccc3)cc(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)O)C3)c2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL2897360 0.87 SMN1; SMN2 (0.40) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL4531833 0.86 RXFP1 (0.46) LMNAKMT2AMEN1ALDH1A1DHODH
SCHEMBL4556318 0.85 KDM4E (0.55) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL8213225 0.83 UCHL1 (0.45) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL2897227 0.82 HTR3E (0.36) LMNAKDM4EALDH1A1HTR3EHTR3B
SCHEMBL4541724 0.80 HTR3E (0.37) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL3045119 0.79 KDM4E (0.54) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL3155976 0.79 KDM4E (0.54) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL14094641 0.79 KDM4E (0.53) SMN1; SMN2HPGDLMNAKDM4EKMT2A
SCHEMBL4301154 0.78 APAF1 (0.39) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
EP-2083844-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 — — EP disclosed
US-8591878-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 — — US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 — — US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 — — 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 (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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 SMN1; SMN2 2890/4885HPGD 4043/4885LMNA 1334/4885
US-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC SMN1; SMN2 4284/4885HPGD 1870/4885LMNA 3730/4885

“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.