SCHEMBL3872642

SCHEMBL3872642

CC1(C)OB(c2cccc(NC(=O)c3ccc(C4(F)CC4)cc3)c2CO[Si](C)(C)C(C)(C)C)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.44
CXCR2 P25025 4/20 0.34
DHPS P49366 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ELANE P08246 2/20 0.31
PRTN3 P24158 2/20 0.31
PPARG P37231 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL15956659 0.91 LIPE (0.43) LIPECXCR2DHPSMAPT
SCHEMBL16343945 0.87 LIPE (0.47) LIPEDHPSKDM4EMAPTPPARG
SCHEMBL3705786 0.85 LIPE (0.42) LIPE
SCHEMBL3720444 0.85 LIPE (0.46) LIPECXCR2LMNAMAPT
SCHEMBL15957110 0.84 LIPE (0.45) LIPECXCR2DHPSMAPTNR1H4
SCHEMBL15526258 0.81 LIPE (0.45) LIPECXCR2
SCHEMBL15956897 0.78 LIPE (0.43) LIPELMNA
SCHEMBL15979558 0.77 LIPE (0.47) LIPEDHPSMAPTPPARGNR1H4
SCHEMBL18130771 0.77 ALDH1A1 (0.42) KDM4ELMNATSHRMAPT
SCHEMBL3872643 0.77 LIPE (0.42) LIPECXCR2DHPSCYP1A2CYP2D6

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 4032/4885CXCR2 413/4885DHPS 4291/4885

“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.