SCHEMBL106631

SCHEMBL106631

CC1(C)OB(c2cccc(NC(=O)N3Cc4ccccc4C3)c2CO[Si](C)(C)C(C)(C)C)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.39
TAS1R1 Q7RTX1 6/20 0.39
TAS1R2 Q8TE23 6/20 0.39
TAAR1 Q96RJ0 2/20 0.37
NAMPT P43490 7/20 0.37
ROCK1 Q13464 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LIPE Q05469 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20878557 0.85 RBP4 (0.34) LIPE
SCHEMBL3705786 0.79 LIPE (0.42) NAMPTLIPE
SCHEMBL16343945 0.79 LIPE (0.47) NPC1RAB9ASMN1; SMN2LIPEKDM4E
SCHEMBL12602987 0.78 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2TAAR1NAMPT
SCHEMBL15956659 0.78 LIPE (0.43) LIPE
SCHEMBL12602995 0.76 LIPE (0.33) LIPE
SCHEMBL3720444 0.76 LIPE (0.46) NPC1RAB9ASMN1; SMN2LIPE
SCHEMBL3872642 0.76 LIPE (0.44) LIPEKDM4E
SCHEMBL18130771 0.75 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15956897 0.75 LIPE (0.43) NPC1RAB9ASMN1; SMN2LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN TAS1R3 1569/4885TAS1R1 858/4885TAS1R2 1507/4885

“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.