SCHEMBL2247705

SCHEMBL2247705

COC(=O)c1ccc(C2(c3ccc(O)c([N+](=O)[O-])c3)CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
P2RY6 Q15077 1/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 3/20 0.38
VCAM1 P19320 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 2/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2247669 0.83 P2RY6 (0.43) HPGDSMN1; SMN2P2RY6ALDH1A1VCAM1
SCHEMBL2250158 0.81 CA1 (0.51) HPGDSMN1; SMN2ALDH1A1MAPTCA12
SCHEMBL2246402 0.79 RXRA (0.41) SMN1; SMN2ALDH1A1MAPTCA12CA1
SCHEMBL2248484 0.74 CNR2 (0.34) ALDH1A1NPSR1MAPTCA12CA1
SCHEMBL2244057 0.74 STS (0.44) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL2250878 0.73 P2RY6 (0.39) HPGDSMN1; SMN2P2RY6ALDH1A1MAPT
SCHEMBL531728 0.72 VCAM1 (0.64) HPGDSMN1; SMN2ERN1ALDH1A1VCAM1
SCHEMBL2247636 0.71 CA1 (0.53) HPGDSMN1; SMN2ALDH1A1MAPTCA12
SCHEMBL2247348 0.71 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2248675 0.71 P2RY6 (0.36) HPGDP2RY6ALDH1A1MAPTMEN1

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 HPGD 777/4885SMN1; SMN2 3414/4885P2RY6 338/4885

“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.