SCHEMBL13596267

SCHEMBL13596267

CC(C)(C)OC(=O)Nc1cccc(C=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.41
FGFR4 P22455 2/20 0.39
CYP17A1 P05093 1/20 0.39
ATR Q13535 1/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
GSK3B P49841 1/20 0.38
NAMPT P43490 1/20 0.38
SCN9A Q15858 2/20 0.38
METAP1 P53582 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL29426670 1.00 LCK (0.41) LCKFGFR4CYP17A1ATRRAB9A
SCHEMBL18989702 0.87 LCK (0.40) LCKCYP17A1RAB9AMEN1NPC1
SCHEMBL30602604 0.86 FGFR4 (0.41) LCKFGFR4CYP17A1ATRRAB9A
SCHEMBL29394473 0.86 LCK (0.47) LCKRAB9AMEN1NPC1GAA
SCHEMBL23649610 0.83 KDM4E (0.40) LCKRAB9AMEN1NPC1GAA
SCHEMBL31338383 0.82 RAB9A (0.52) RAB9AMEN1NPC1KMT2A
SCHEMBL23666960 0.82 HDAC3 (0.38) LCKATRRAB9AMEN1NPC1
SCHEMBL29865217 0.82 HDAC3 (0.38) LCKATRRAB9AMEN1NPC1
SCHEMBL12710236 0.82 LCK (0.42) LCKCYP17A1ATRRAB9AMEN1
SCHEMBL19538278 0.81 LCK (0.37) LCKRAB9AMEN1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2021262628-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 WO disclosed
US-20210403483-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 US disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-20190040073-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. 2019-02-07 US disclosed
WO-2017189828-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. (US) 2017-11-02 WO disclosed
US-20170313708-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2017-11-02 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 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 (5 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-20210403483-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GAA, UGT2B7 LCK 1808/4885FGFR4 380/4885CYP17A1 125/4885
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 LCK 4542/4885FGFR4 1687/4885CYP17A1 329/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL LCK 4271/4885FGFR4 4402/4885CYP17A1 3582/4885
US-20190040073-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 LCK 3359/4885FGFR4 232/4885CYP17A1 840/4885
US-20170313708-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 LCK 3359/4885FGFR4 232/4885CYP17A1 840/4885

“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.