SCHEMBL13435533

SCHEMBL13435533

CC(=O)NC(C)(C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 3/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
PLEC Q15149 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.30
MAPK1 P28482 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
SCHEMBL27265453 0.82 EPHX1 (0.42) ALDH1A1EPHX1KDM4ECA2PTGS1
SCHEMBL20899758 0.78 KDM4E (0.31) KDM4EMAPTTP53GAATHRB
SCHEMBL23571 0.78 PDK1 (0.32) ALDH1A1KDM4EMAPTTP53GAA
SCHEMBL14926868 0.77 EPHX1 (0.39) ALDH1A1EPHX1KDM4ECA2PTGS1
SCHEMBL23515873 0.76 L3MBTL1 (0.36) CA2L3MBTL1PKM
SCHEMBL13830424 0.76 CRBN (0.32) CA2NFKB1
SCHEMBL3810514 0.76 GRM5 (0.31)
SCHEMBL14446732 0.74 EPHX1 (0.37) ALDH1A1EPHX1KDM4ECA2PTGS1
SCHEMBL22702459 0.74 KDM5B (0.35)
SCHEMBL13829831 0.74 MAPT (0.35) ALDH1A1KDM4EMAPTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed
US-11584756-B2 Heterocyclic compounds as BET inhibitors NUVATION BIO INC. (US) 2023-02-21 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3985010-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS Promidis S.r.l. (IT) 2022-04-20 EP disclosed
WO-2021222466-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC. (US) 2021-11-04 WO disclosed
WO-2021160617-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2021-08-19 WO disclosed
EP-3865489-A1 SPIROCYCLIC INHIBITORS OF HEPATITIS B VIRUS Promidis S.r.l. (IT) 2021-08-18 EP disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
WO-2021003310-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-20210002293-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2021-01-07 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 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 (8 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-11584756-B2 Heterocyclic compounds as BET inhibitors BET1, BRD4, BRD3 ALDH1A1 4239/4885EPHX1 1535/4885KDM4E 555/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885EPHX1 3246/4885KDM4E 1101/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 ALDH1A1 4239/4885EPHX1 1535/4885KDM4E 555/4885
US-20210002293-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 ALDH1A1 4239/4885EPHX1 1535/4885KDM4E 555/4885
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 ALDH1A1 541/4885EPHX1 4366/4885KDM4E 2869/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885EPHX1 3246/4885KDM4E 1101/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1601/4885EPHX1 3390/4885KDM4E 1086/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885EPHX1 3246/4885KDM4E 1101/4885

“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.