SCHEMBL2643256

SCHEMBL2643256

O=C(O)CC(=O)c1cc2cc(Cl)ccc2n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.64
PTGS2 P35354 2/20 0.52
PTGS1 P23219 1/20 0.52
GPR35 Q9HC97 1/20 0.51
PPARG P37231 1/20 0.49
SERPINE1 P05121 1/20 0.49
CCR9 P51686 1/20 0.49

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
SCHEMBL27658570 0.86 CCR2 (0.82) CCR2GPR35CCR9
SCHEMBL2643108 0.86 CCR9 (0.65) CCR2PTGS2CCR9
SCHEMBL2643531 0.83 CCR2 (0.59) CCR2PTGS2PTGS1GPR35CCR9
SCHEMBL1044018 0.81 CCR2 (0.62) CCR2PTGS2PTGS1GPR35CCR9
SCHEMBL1503984 0.79 NOD2 (0.67) CCR2PTGS2
Hydrochloric Acid SCHEMBL8687192 0.78 CCR2 (0.57) CCR2PPARG
SCHEMBL2643465 0.78 RXFP1 (0.60) CCR2
SCHEMBL3191922 0.77 CCR2 (0.76) CCR2GPR35CCR9
SCHEMBL6436875 0.77 CCR2 (0.77) CCR2GPR35CCR9
SCHEMBL3957310 0.75 CCR2 (1.00) CCR2GPR35CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
EP-1951669-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007047177-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R CCR2 557/4885PTGS2 334/4885PTGS1 680/4885

“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.