SCHEMBL25898751

SCHEMBL25898751

CC(C)(C)OC(=O)Nc1cnc(Br)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
RORC P51449 4/20 0.43
NAMPT P43490 1/20 0.40
MAP4K4 O95819 1/20 0.39
EGLN2 Q96KS0 2/20 0.39
AR P10275 1/20 0.39
AAK1 Q2M2I8 3/20 0.39
CYP17A1 P05093 2/20 0.39
MAPKAPK2 P49137 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 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
SCHEMBL30004261 1.00 SYK (0.44) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL23147868 0.84 SYK (0.43) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL29813534 0.84 SYK (0.43) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL28695827 0.84 CA12 (0.43) SYKRORCNAMPTMAP4K4AAK1
SCHEMBL29813612 0.84 SYK (0.45) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL15081332 0.84 SYK (0.45) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL30398203 0.83 AR (0.48) SYKRORCNAMPTMAP4K4AR
SCHEMBL29509761 0.83 SYK (0.44) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL2015768 0.83 SYK (0.44) SYKRORCNAMPTMAP4K4EGLN2
SCHEMBL29178680 0.83 SYK (0.44) SYKRORCNAMPTMAP4K4EGLN2

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-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
CN-117295717-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-12-26 CN disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
CN-115942972-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-04-07 CN 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-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 SYK 3706/4885RORC 920/4885NAMPT 1039/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 SYK 3706/4885RORC 920/4885NAMPT 1039/4885

“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.