SCHEMBL15033718

SCHEMBL15033718

COc1nc(Nc2ccc(Cl)c(Cl)c2)c(C)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
KMO O15229 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CCR2 P41597 2/20 0.39
CCR5 P51681 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL15033751 0.85 KMO (0.45) MAPTSMN1; SMN2KMOMEN1KMT2A
SCHEMBL15033797 0.82 MAPT (0.49) MAPTGAASMN1; SMN2TP53MEN1
SCHEMBL16257566 0.80 MEN1 (0.42) MAPTSMN1; SMN2TP53KMOMEN1
SCHEMBL15083655 0.80 CCR2 (0.51) MAPTSMN1; SMN2TP53KMOMEN1
SCHEMBL15033697 0.79 ADORA3 (0.42) MAPTSMN1; SMN2KMOMEN1KMT2A
SCHEMBL15033668 0.77 KMO (0.58) SMN1; SMN2TP53KMOMEN1KMT2A
SCHEMBL15033667 0.77 LMNA (0.58) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL16257554 0.75 CCR2 (0.63) CCR2CCR5
SCHEMBL18924956 0.72 LMNA (0.38) MAPTKDM4ELMNAHTTNPSR1
SCHEMBL14653353 0.72 CCR2 (0.44) MAPTTP53LMNACCR2CCR5

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
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 MAPT 4161/4885GAA 4851/4885SMN1; SMN2 3542/4885

“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.