SCHEMBL17079907

SCHEMBL17079907

CC(C)CC1NC(=O)C=C1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL2428880 0.74 ALDH1A1 (0.34) GAAHTTPAX8MEN1KMT2A
SCHEMBL4488975 0.69 ABCB1 (0.33)
SCHEMBL163425 0.68 MEN1 (0.41) GAAHTTPAX8MEN1KMT2A
SCHEMBL2867325 0.68 MEN1 (0.41) GAAHTTPAX8MEN1KMT2A
SCHEMBL15357343 0.66
SCHEMBL19455945 0.66
SCHEMBL14952771 0.64 MEN1 (0.36) GAAHTTPAX8MEN1KMT2A
SCHEMBL20734815 0.64 MAOB (0.36) MEN1KMT2A
SCHEMBL20734816 0.64 MAOB (0.36) MEN1KMT2A
SCHEMBL14952819 0.63 MLNR (0.48) GAAKMT2AALDH1A1MAPK1SMN1; SMN2

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-10011589-B2 Treatments for gastrointestinal conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-07-03 US disclosed
US-10011589-B2 Treatments for gastrointestinal conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-07-03 US disclosed
US-20170073332-A1 Treatments for Gastrointestinal Conditions ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2017-03-16 US disclosed
US-20170073332-A1 Treatments for Gastrointestinal Conditions ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2017-03-16 US disclosed
EP-3116499-A1 TREATMENTS FOR GASTROINTESTINAL CONDITIONS Board of Regents, The University of Texas System (US) 2017-01-18 EP disclosed
WO-2015138753-A1 TREATMENTS FOR GASTROINTESTINAL CONDITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-09-17 WO 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-10011589-B2 Treatments for gastrointestinal conditions SI, FABP2, SLC10A2 GAA 67/4885HTT 886/4885PAX8 4684/4885
US-20170073332-A1 Treatments for Gastrointestinal Conditions SI, FABP2, SLC10A2 GAA 67/4885HTT 886/4885PAX8 4684/4885

“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.