SCHEMBL13952140

SCHEMBL13952140

N=C(N)c1ccc(NC(=O)CC2CCN(CCN(c3ccccc3)S(=O)(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.50
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ F2 P00734 4/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ TPSD1 Q9BZJ3 1/20 0.39
▸ TPSG1 Q9NRR2 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL13930654 0.86 CA1 (0.49) CA1CA2CA9KDM4ELMNA
SCHEMBL13952139 0.85 RORC (0.55) CA1CA2CA9KDM4ELMNA
SCHEMBL13930718 0.85 TPSAB1 (0.51) TPSAB1OPRM1ITGB3ITGA2B
SCHEMBL13931078 0.83 SMN1; SMN2 (0.50) MEN1MAPTKMT2AOPRM1CCR3
SCHEMBL13951666 0.82 SIGMAR1 (0.52) F2PRSS1PRSS2PRSS3F10
SCHEMBL13931081 0.79 OPRM1 (0.44) LMNAMEN1MAPTKMT2AOPRM1
SCHEMBL13930704 0.79 TPSAB1 (0.46) TPSAB1LMNAMEN1MAPTKMT2A
SCHEMBL13930656 0.75 LMNA (0.50) CA1CA2CA9KDM4ELMNA
SCHEMBL13930620 0.74 CA1 (0.62) CA1CA2CA9KDM4ELMNA
SCHEMBL13930608 0.74 EPHX2 (0.56) CA1CA2CA9LMNAKMT2A

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-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 TPSAB1 1951/4885CA1 1402/4885CA2 2078/4885

“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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