SCHEMBL1891883

SCHEMBL1891883

COc1ccc2cc(C(O)CCC(F)(F)F)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 15/20 0.46
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
EGFR P00533 1/20 0.43
CYP17A1 P05093 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCB11 O95342 1/20 0.39

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
SCHEMBL1891884 1.00 HPGDS (0.46) HPGDSPDGFRBPDGFRAEGFRCYP17A1
SCHEMBL1896413 0.83 ABCB11 (0.53) CYP17A1CYP2C9CYP2C19ABCB11
SCHEMBL1896411 0.83 ABCB11 (0.53) CYP17A1CYP2C9CYP2C19ABCB11
SCHEMBL9071489 0.75 HPGDS (0.56) HPGDSPDGFRBPDGFRAEGFRABCB11
SCHEMBL1891721 0.74 CYP2C9 (0.36) CYP17A1CYP2C9CYP2C19ABCB11
SCHEMBL1891723 0.74 CYP2C9 (0.36) CYP17A1CYP2C9CYP2C19ABCB11
SCHEMBL1892127 0.74 SLC2A1 (0.47) HPGDSCYP2C9CYP2C19
SCHEMBL1892130 0.74 SLC2A1 (0.47) HPGDSCYP2C9CYP2C19
SCHEMBL28808959 0.70 HPGDS (0.65) HPGDSPDGFRBPDGFRAEGFRCYP2C9
SCHEMBL4371627 0.69 HPGDS (0.59) HPGDSPDGFRBPDGFRAEGFR

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-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME 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-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 HPGDS 570/4885PDGFRB 691/4885PDGFRA 1037/4885

“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.