SCHEMBL1896576

SCHEMBL1896576

COC(=O)c1ccc([C@@H](Cc2ccc(Cl)cc2)c2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
PTGS2 P35354 4/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CNR2 P34972 1/20 0.46
AKR1C3 P42330 6/20 0.46
AKR1C2 P52895 6/20 0.46
PTGS1 P23219 3/20 0.46
AKR1C1 Q04828 1/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 1/20 0.46
CYP1A2 P05177 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL1896573 1.00 PTPN1 (0.50) PTPN1PTGS2NPC1RAB9ACNR2
SCHEMBL1895066 0.84 GCGR (0.56) CYP1A2CYP2C9
SCHEMBL1895068 0.84 GCGR (0.56) CYP1A2CYP2C9
SCHEMBL1898722 0.77 SLC2A1 (0.47) PTGS2AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL1898723 0.77 SLC2A1 (0.47) PTGS2AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL25212922 0.76 RAB9A (0.52) NPC1RAB9ACNR2KMT2ATSHR
SCHEMBL1894316 0.75 CA1 (0.57) PTGS2AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL1897614 0.73 CA1 (0.59) NPC1RAB9AAKR1C3AKR1C2PTGS1
SCHEMBL2669621 0.73 AKR1C3 (0.55) PTGS2NPC1RAB9ACNR2AKR1C3
SCHEMBL31538456 0.72 KMT2A (0.53) PTGS2NPC1RAB9AAKR1C3AKR1C2

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 PTPN1 1599/4885PTGS2 641/4885NPC1 1918/4885

“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.