SCHEMBL2194696

SCHEMBL2194696

CCC[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 2/20 0.48
SRD5A2 P31213 1/20 0.47
FFAR2 O15552 1/20 0.45
NTSR1 P30989 1/20 0.45
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NR4A2 P43354 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
PSEN1 P49768 1/20 0.40

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
SCHEMBL1356006 1.00 ALOX15 (0.52) ALOX15TSHRCYP2C9CYP2C19POLB
SCHEMBL1393495 0.87 KMT2A (0.56) CYP2C9CYP2C19POLBFFAR2NTSR1
SCHEMBL14949169 0.82 CA1 (0.57) TSHRPOLBLMNAALDH1A1KMT2A
SCHEMBL14949170 0.82 CA1 (0.57) TSHRPOLBLMNAALDH1A1KMT2A
SCHEMBL2193185 0.81 CYP2C9 (0.42) CYP2C9CYP2C19POLBFFAR2NTSR1
SCHEMBL10651634 0.81 IDO1 (0.44) ALOX15CYP2C9CYP2C19POLBFFAR2
SCHEMBL2193182 0.81 CYP2C9 (0.42) CYP2C9CYP2C19POLBFFAR2NTSR1
SCHEMBL6344322 0.80 POLB (0.55) TSHRCYP2C9CYP2C19POLBFFAR2
SCHEMBL14844375 0.79 LMNA (0.63) ALOX15TSHRCYP2C9CYP2C19LMNA
SCHEMBL1355617 0.79 ALOX15 (0.52) ALOX15TSHRCYP2C9CYP2C19POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
US-8445538-B2 Glucagon receptor antagonist compounds MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 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 (2 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-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS GLP1R, GCGR, GPR119 ALOX15 2614/4885TSHR 60/4885CYP2C9 2487/4885
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 ALOX15 2224/4885TSHR 88/4885CYP2C9 2747/4885

“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.