SCHEMBL13736679

SCHEMBL13736679

COC(=O)C1(C)CCC(C(=O)Cl)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 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
SCHEMBL20000454 0.82 APLNR (0.40) FFAR3NPSR1MAPTLMNA
SCHEMBL16887593 0.82 TP53 (0.42) FFAR3NPSR1MAPTALDH1A1
SCHEMBL16875576 0.82 TP53 (0.42) FFAR3NPSR1MAPTALDH1A1
SCHEMBL9044623 0.82 FFAR3 (0.34) FFAR3NPSR1MAPTCES2CES1
SCHEMBL595271 0.82 APLNR (0.40) FFAR3NPSR1MAPTLMNA
SCHEMBL18169491 0.82 APLNR (0.40) FFAR3NPSR1MAPTLMNA
SCHEMBL16875305 0.82 TP53 (0.42) FFAR3NPSR1MAPTALDH1A1
SCHEMBL20855519 0.81 SMN1; SMN2 (0.40) FFAR3NPSR1MAPTALDH1A1
SCHEMBL8175853 0.78 FFAR3 (0.50) FFAR3NPSR1MAPTALDH1A1L3MBTL1
SCHEMBL283125 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
EP-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 EP disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 US disclosed
EP-2706853-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP disclosed
CN-103619172-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2014-03-05 CN disclosed
WO-2012154519-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 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 (1 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-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK FFAR3 3585/4885NPSR1 2035/4885MAPT 3941/4885

“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.