Sugi Predict

Sugi Predict / Compounds / SCHEMBL2894627

SCHEMBL2894627

SCHEMBL2894627

C=Cc1cc2ccc(OC)cc2nc1O[C@@H]1C[C@@H](C(=O)O)N(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGDS O60760 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 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
Hydrochloric Acid SCHEMBL1073510 0.89 RAB9A (0.37) RAB9AKDM4EKMT2AL3MBTL1ACACB
SCHEMBL2897229 0.87 RAB9A (0.41) RAB9AKDM4EKMT2AACACBNPC1
SCHEMBL20595261 0.83 MAPT (0.38) RAB9AKDM4EKMT2ANPC1POLB
SCHEMBL21800729 0.83 MAPT (0.38) RAB9AKDM4EKMT2ANPC1POLB
SCHEMBL12934504 0.82 RAB9A (0.44) RAB9AKDM4EL3MBTL1ACACBPPARD
SCHEMBL21800655 0.82 ACACB (0.37) RAB9AKDM4EKMT2AACACBNPC1
SCHEMBL20595603 0.82 ACACB (0.37) RAB9AKDM4EKMT2AACACBNPC1
SCHEMBL17099108 0.82 CYP2D6 (0.34) RAB9AKDM4EKMT2AL3MBTL1NPC1
SCHEMBL1160904 0.82 HCRTR1 (0.37) RAB9AKDM4EKMT2AL3MBTL1NPC1
SCHEMBL20595262 0.82 HCRTR1 (0.37) RAB9AKDM4EKMT2AL3MBTL1NPC1

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-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 — — EP disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 — — US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 — — US 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-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 — — 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-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC RAB9A 2463/4885KDM4E 2747/4885KMT2A 3629/4885
US-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC RAB9A 2463/4885KDM4E 2747/4885KMT2A 3629/4885

“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.