SCHEMBL17600644

SCHEMBL17600644

CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1C(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
ALOX15 P16050 11/20 0.50
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
NQO2 P16083 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL17600659 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL17600661 0.87 ALOX15 (0.57) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL19320610 0.83 KDM4E (0.64) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL17600647 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL385458 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL6923876 0.81 KDM4E (0.69) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL17616303 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDRAB9AALOX15
SCHEMBL14829878 0.77 GAA (0.51) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL21430761 0.76 GAA (0.55) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL6924089 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPC1MAPT

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-9963466-B2 Substituted 5-membered heterocyclic analogs as protease activated receptor 4 (PAR-4) antagonists VANDERBILT UNIVERSITY (US) 2018-05-08 US disclosed
US-9963466-B2 Substituted 5-membered heterocyclic analogs as protease activated receptor 4 (PAR-4) antagonists VANDERBILT UNIVERSITY (US) 2018-05-08 US disclosed
US-20170253617-A1 Substituted 5-Membered Heterocyclic Analogs as Protease Activated Receptor 4 (PAR-4) Antagonists VANDERBILT UNIVERSITY 2017-09-07 US disclosed
US-20170253617-A1 Substituted 5-Membered Heterocyclic Analogs as Protease Activated Receptor 4 (PAR-4) Antagonists VANDERBILT UNIVERSITY 2017-09-07 US disclosed
US-9572794-B2 Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists VANDERBILT UNIVERSITY (US) 2017-02-21 US disclosed
US-20160083363-A1 Substituted Indoles as Selective Protease Activated Receptor 4 (PAR-4) Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 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-20170253617-A1 Substituted 5-Membered Heterocyclic Analogs as Protease Activated Receptor 4 (PAR-4) Antagonists F2RL3, F2R, F2RL1 ALDH1A1 3877/4885KDM4E 1291/4885HPGD 843/4885
US-20160083363-A1 Substituted Indoles as Selective Protease Activated Receptor 4 (PAR-4) Antagonists F2RL3, F2R, F2RL1 ALDH1A1 3242/4885KDM4E 962/4885HPGD 1136/4885

“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.