SCHEMBL14030375

SCHEMBL14030375

CC(C)(C)c1nnc2n1CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
HPGD P15428 4/20 0.49
HSD11B1 P28845 8/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD11B2 P80365 6/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14030255 1.00 POLB (0.58) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL14030286 0.98 POLB (0.55) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL14030258 0.92 POLB (0.47) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL4538193 0.80 HPGD (0.55) POLBHPGDHSD11B1ALDH1A1HSD11B2
SCHEMBL4539384 0.79 HPGD (0.54) POLBHPGDHSD11B1ALDH1A1HSD11B2
SCHEMBL23638716 0.77 POLB (0.44) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL4534788 0.75 HPGD (0.57) POLBHPGDHSD11B1KDM4EHSD11B2
SCHEMBL4536746 0.74 POLB (0.50) POLBHPGDHSD11B1ALDH1A1HSD11B2
SCHEMBL15979338 0.74 POLB (0.42) POLBHPGDHSD11B1ALDH1A1KDM4E
SCHEMBL14030349 0.74 GRM5 (0.31) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20080261970-A1 Sufonamides and Uses Thereof ELIXIR PHARMACEUTICALS, INC. (US) 2008-10-23 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 (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-20080261970-A1 Sufonamides and Uses Thereof CYP21A2, LPXN, OAT POLB 2539/4885HPGD 1382/4885HSD11B1 586/4885
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE ACOT7, LYPLA2, PPT1 POLB 2398/4885HPGD 1461/4885HSD11B1 401/4885

“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.