SCHEMBL1744300

SCHEMBL1744300

CC(C)(C)C(C[C@@H](NC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.38
FFAR1 O14842 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 4/20 0.35
GPR139 Q6DWJ6 2/20 0.33
CNR1 P21554 1/20 0.33
SLC6A9 P48067 1/20 0.32
PDE2A O00408 1/20 0.31

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
SCHEMBL2541351 0.84 FFAR2 (0.33) CTSAFFAR1GPR139PDE2A
SCHEMBL2548040 0.84 GPR139 (0.35) CTSAFFAR1NPC1RAB9AGPR139
SCHEMBL1743679 0.84 GPR139 (0.35) CTSAFFAR1NPC1RAB9AGPR139
SCHEMBL3706895 0.84 GPR139 (0.35) CTSAFFAR1NPC1RAB9AGPR139
SCHEMBL1595431 0.79 PDE2A (0.39) CNR2PDE2A
SCHEMBL1595429 0.79 PDE2A (0.39) CNR2PDE2A
SCHEMBL1743812 0.78 CDK2 (0.33) CTSAFFAR1
SCHEMBL2544780 0.75 CNR2 (0.34) FFAR1CNR2CNR1PDE2A
SCHEMBL1744761 0.75 CNR2 (0.34) FFAR1CNR2CNR1PDE2A
SCHEMBL12241693 0.74 CTSK (0.37) FFAR1GPR139PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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 (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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 CTSA 3111/4885FFAR1 381/4885NPC1 484/4885

“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.