SCHEMBL5431697

SCHEMBL5431697

Cc1ccc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ EBP Q15125 1/20 0.47
▸ DHCR7 Q9UBM7 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5441438 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5428757 0.89 GAA (0.52) ALDH1A1KDM4ESMN1; SMN2GAAUSP2
SCHEMBL5441823 0.88 MEN1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5432653 0.85 TSHR (0.54) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL5423035 0.85 ABL1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5436088 0.83 LIPE (0.48) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5439713 0.83 LMNA (0.48) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5424899 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5430244 0.83 SMN1; SMN2 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5436729 0.82 HTR6 (0.42) ALDH1A1KDM4ELMNAGAAUSP2

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-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 — — US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 — — US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 — — 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 (3 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R ALDH1A1 3499/4885KDM4E 3598/4885LMNA 4131/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R ALDH1A1 3499/4885KDM4E 3598/4885LMNA 4131/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R ALDH1A1 3880/4885KDM4E 3574/4885LMNA 4024/4885

“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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