SCHEMBL13930657

SCHEMBL13930657

CS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCN(c3ccccc3)C3CCS(=O)(=O)C3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CCR5 P51681 4/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CCR3 P51677 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL13930644 0.87 CCR5 (0.47) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL3635711 0.86 CCR5 (0.44) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL13930663 0.86 CCR5 (0.44) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL3639322 0.86 CCR5 (0.46) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL13930621 0.83 CA1 (0.49) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL13930854 0.82 LMNA (0.50) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL13930632 0.82 CA1 (0.48) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL4254630 0.82 CCR5 (0.43) LMNAL3MBTL1KDM4ECCR5CA1
SCHEMBL3639822 0.82 GPR119 (0.47) CCR5
SCHEMBL13930656 0.80 LMNA (0.50) LMNAL3MBTL1KDM4ECCR5CA1

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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 LMNA 3911/4885L3MBTL1 4818/4885KDM4E 1506/4885

“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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