SCHEMBL2250878

SCHEMBL2250878

COC(=O)c1ccc(C2(c3ccc(C#C[Si](C)(C)C)cc3)CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.39
PTPN11 Q06124 1/20 0.37
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL2250158 0.83 CA1 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL2246402 0.83 RXRA (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL168698 0.78 PTPN11 (0.54) PTPN11RAB9AALDH1A1MAPTCYP1A2
SCHEMBL2248675 0.78 P2RY6 (0.36) P2RY6PTPN11RAB9ANPC1ALDH1A1
SCHEMBL2244057 0.77 STS (0.44) RAB9ASMN1; SMN2ALDH1A1MAPTCYP2C9
SCHEMBL2247348 0.76 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL2247669 0.75 P2RY6 (0.43) P2RY6SMN1; SMN2ALDH1A1HPGD
SCHEMBL6132177 0.74 PTPN11 (0.50) PTPN11RAB9AALDH1A1MAPTCYP1A2
SCHEMBL2247705 0.73 HPGD (0.40) P2RY6SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL2248484 0.73 CNR2 (0.34) ALDH1A1MAPTMEN1KMT2ACA12

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
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 P2RY6 338/4885PTPN11 1039/4885RAB9A 3427/4885

“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.