SCHEMBL7873903

SCHEMBL7873903

CSC1CNC(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP2C19 P33261 2/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
CTSC P53634 4/20 0.50
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
ARG1 P05089 1/20 0.41
GRIK1 P39086 1/20 0.36

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
SCHEMBL7306083 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7340749 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7340833 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL6329133 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL26120460 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL26116451 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL20604369 0.86 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL13422396 0.83 CTSC (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL24021118 0.82 CTSC (0.49) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL29063455 0.82 CTSC (0.49) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926295-B2 Potent and selective inhibitors of hepatitis C virus COCRYSTAL PHARMA, INC. (US) 2018-03-27 US disclosed
EP-3131892-A2 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS Cocrystal Pharma, Inc. (US) 2017-02-22 EP disclosed
US-20170029407-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS EMORY UNIVERSITY 2017-02-02 US disclosed
WO-2015160907-A2 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS COCRYSTAL PHARMA, INC. (US) 2015-10-22 WO disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
US-6291432-B1 (R)-N-(2-METHYLBENZYL)-3-((2S, 3S)-3-(N-(2-CHROMONECARBONYL)-L-ASPARAGINYL)AMINO-2-HYDROXY-4-PHENYLBUTANO YL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE CAN BE GIVEN AS A TYPICAL EXAMPLE OF THIS COMPOUND. JAPAN ENERGY CORPORATION (JP) 2001-09-18 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
EP-0900566-A1 NOVEL TRIPEPTIDE COMPOUNDS AND ANTI-AIDS DRUGS JAPAN ENERGY CORPORATION (JP) 1999-03-10 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 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-20170029407-A1 POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, PYGL CYP2D6 567/4885CYP1A2 326/4885ALOX15 2257/4885

“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.