SCHEMBL6300529

SCHEMBL6300529

COc1cc(OC)c2cc(C(=O)O)n(Cc3sccc3Cl)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.49
ABCB11 O95342 1/20 0.41
CCR9 P51686 2/20 0.41
RHEB Q15382 4/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
PLK1 P53350 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7079495 0.80 CCR2 (0.47) CCR2CCR9RHEBMAPTTP53
SCHEMBL6303493 0.77 CCR2 (0.62) CCR2CCR9RHEBMAPT
SCHEMBL701444 0.76 GPR35 (0.46) CCR2CCR9RHEBPOLBMAPT
SCHEMBL4209306 0.75 CCR9 (0.56) CCR2CCR9RHEB
SCHEMBL6300706 0.74 CCR9 (0.53) CCR2CCR9RHEB
SCHEMBL3964056 0.72 F10 (0.47)
SCHEMBL6300781 0.71 CCR2 (0.53) CCR2CCR9RHEB
SCHEMBL6221773 0.70 HSD17B10 (0.54) RHEB
SCHEMBL6308101 0.66 CCR2 (1.00) CCR2ABCB11
SCHEMBL3963296 0.65 CCR2 (0.72) CCR2RHEBMAPTTP53

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-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 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-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 CCR2 4/4885ABCB11 506/4885CCR9 27/4885

“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.