SCHEMBL13950424

SCHEMBL13950424

CCNS(=O)(=O)c1ccc(F)c(C(=O)C(C)(C)CC)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 6/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13542950 0.89 TSHR (0.38) TSHRLMNATDP1ALDH1A1FABP4
SCHEMBL12225748 0.83 FABP4 (0.44) TSHRLMNATDP1ALDH1A1FABP4
SCHEMBL13545055 0.82 LMNA (0.36) TSHRLMNATDP1ALDH1A1FABP4
SCHEMBL13542951 0.78 CA12 (0.48) LMNATDP1ALDH1A1FABP4L3MBTL1
SCHEMBL13542967 0.76 ALDH1A1 (0.36) LMNATDP1ALDH1A1FABP4CA12
SCHEMBL13542948 0.73 ALDH1A1 (0.36) TSHRLMNAALDH1A1FABP4CA12
SCHEMBL13684633 0.72 IDH2 (0.35) LMNATDP1ALDH1A1FABP4CA12
SCHEMBL13687175 0.71 CA12 (0.46) LMNATDP1ALDH1A1FABP4L3MBTL1
SCHEMBL13542957 0.69 NPSR1 (0.38) LMNAALDH1A1FABP4SMN1; SMN2
SCHEMBL13545047 0.69 FABP4 (0.34) TSHRLMNATDP1ALDH1A1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 — — 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 RIPK1 182/4885TSHR 3057/4885LMNA 4259/4885

“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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