SCHEMBL3872643

SCHEMBL3872643

CC(C)(C)[SiH2]OC(C)(C)c1c(NC(=O)c2ccc(C3(F)CC3)cc2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.42
MAPT P10636 1/20 0.33
CXCR2 P25025 2/20 0.32
PPARG P37231 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
DHPS P49366 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3705790 0.85 LIPE (0.41) LIPEMAPT
SCHEMBL3720446 0.85 LIPE (0.45) LIPEMAPTCA1CA2CA9
SCHEMBL3872642 0.77 LIPE (0.44) LIPEMAPTCXCR2PPARGNR1H4
SCHEMBL104612 0.69 RAB9A (0.54) LIPEMAPTPPARGNR1H4DHPS
SCHEMBL29709477 0.69 RAB9A (0.54) LIPEMAPTPPARGNR1H4DHPS
SCHEMBL106624 0.69 LPL (0.31)
SCHEMBL2997564 0.69 LIPE (0.49) LIPEMAPTPPARGNR1H4DHPS
SCHEMBL15607795 0.69 LIPE (0.61) LIPEMAPTPPARGNR1H4NPC1
SCHEMBL124355 0.68 MEN1 (0.51) LIPEMAPTCXCR2CYP1A2CYP2D6
SCHEMBL30586951 0.68 MEN1 (0.51) LIPEMAPTCXCR2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LIPE 4032/4885MAPT 3889/4885CXCR2 413/4885

“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.