SCHEMBL16059778

SCHEMBL16059778

COC(=O)[C@H](N)Cc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
DPP4 P27487 4/20 0.44
SLC7A5 Q01650 3/20 0.43
DPP7 Q9UHL4 1/20 0.42
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6706478 1.00 ALDH1A1 (0.53) ALDH1A1MAOAMAOBDPP4SLC7A5
SCHEMBL16060230 1.00 ALDH1A1 (0.53) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL29728759 0.98 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL4037085 0.98 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL16059777 0.98 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
Hydrochloric Acid SCHEMBL6706475 0.98 ALDH1A1 (0.55) ALDH1A1MAOAMAOBDPP4SLC7A5
SCHEMBL9958445 0.88 ALDH1A1 (0.51) ALDH1A1SLC7A5KDM4EUSP2EGFR
SCHEMBL5367312 0.88 ALDH1A1 (0.51) ALDH1A1SLC7A5
SCHEMBL11252319 0.88 ALDH1A1 (0.51) ALDH1A1SLC7A5KDM4EUSP2EGFR
SCHEMBL5363551 0.88 ALDH1A1 (0.51) ALDH1A1SLC7A5KDM4EUSP2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2022-08-30 US disclosed
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed
EP-2988743-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES INC (US) 2020-12-09 EP disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2019-05-09 US disclosed
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 US disclosed
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2018-06-19 US disclosed
EP-2988743-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE Epigen Biosciences, Inc. (US) 2016-03-02 EP disclosed
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2016-01-28 US disclosed
CN-105142635-A Heterocyclic compounds useful in treatment of disease EPIGEN BIOSCIENCES INC 2015-12-09 CN disclosed
WO-2014145873-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2014-09-18 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 (7 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-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR2, LPAR4 ALDH1A1 2204/4885MAOA 2592/4885MAOB 2487/4885
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 ALDH1A1 1649/4885MAOA 3408/4885MAOB 3113/4885
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 ALDH1A1 1693/4885MAOA 3504/4885MAOB 3537/4885
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 ALDH1A1 1693/4885MAOA 3504/4885MAOB 3537/4885
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR4, LPAR3 ALDH1A1 1621/4885MAOA 3477/4885MAOB 3592/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 ALDH1A1 1693/4885MAOA 3504/4885MAOB 3537/4885
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR2, LPAR4 ALDH1A1 2204/4885MAOA 2592/4885MAOB 2487/4885

“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.