SCHEMBL6300706

SCHEMBL6300706

COc1cc(OC)c2cc(C(=O)O)n(Cc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.53
CCR2 P41597 6/20 0.52
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 3/20 0.47
RHEB Q15382 3/20 0.46
PPARG P37231 2/20 0.44
FEN1 P39748 1/20 0.42
PLA2G2A P14555 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4209306 0.88 CCR9 (0.56) CCR9CCR2RHEB
SCHEMBL6300781 0.81 CCR2 (0.53) CCR9CCR2RHEBPPARG
SCHEMBL6303493 0.80 CCR2 (0.62) CCR9CCR2RHEBPLA2G2A
SCHEMBL701444 0.76 GPR35 (0.46) CCR9CCR2RHEBKDM4ELMNA
SCHEMBL7079495 0.75 CCR2 (0.47) CCR9CCR2RHEB
SCHEMBL3968100 0.75 CCR2 (0.69) CCR9CCR2PPARG
SCHEMBL6300529 0.74 CCR2 (0.49) CCR9CCR2RHEB
SCHEMBL6303257 0.73 CCR2 (0.66) CCR9CCR2
SCHEMBL6302582 0.73 CCR2 (0.66) CCR9CCR2
SCHEMBL2005710 0.71 LMNA (0.61) PPARGPLA2G2AKDM4ELMNACYP1A2

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
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
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO 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 CCR9 27/4885CCR2 4/4885HCRTR1 596/4885

“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.