SCHEMBL11903174

SCHEMBL11903174

COc1c(Cl)ccc(-c2nc(C(=O)O)c3cc(C)n(Cc4ccccc4)c3n2)c1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 3/20 0.41
▸ NOTUM Q6P988 1/20 0.38
▸ PPARG P37231 5/20 0.37
▸ ABCB11 O95342 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL11903164 0.93 CCR2 (0.38) CCR2PPARGRIPK1TSHR
SCHEMBL11903121 0.87 KDM4E (0.36) CCR2PPARG
SCHEMBL11913422 0.85 NOTUM (0.36) NOTUM
SCHEMBL11902957 0.81 NOTUM (0.40) CCR2NOTUMPPARG
SCHEMBL11902918 0.80 TSHR (0.42) TSHR
SCHEMBL11903193 0.80 HTT (0.41) —
SCHEMBL11903251 0.80 HSP90AA1 (0.38) —
SCHEMBL1656977 0.79 MAPK14 (0.45) TSHR
SCHEMBL11902264 0.78 GRM2 (0.36) —
SCHEMBL11903201 0.75 P2RX7 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO CCR2 2345/4885NOTUM 106/4885PPARG 236/4885

“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.

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