SCHEMBL5778982

SCHEMBL5778982

CS(=O)(=O)c1ccc(CNC(=O)/C=C/C2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
NAMPT P43490 4/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5778987 1.00 KMT2A (0.44) KMT2AMEN1EPHX2NR1H4ALDH1A1
SCHEMBL4030433 0.79 ALDH1A1 (0.66) KMT2AMEN1EPHX2NR1H4ALDH1A1
SCHEMBL14446776 0.73 CCR5 (0.61) EPHX2NR1H4ALDH1A1SMN1; SMN2
SCHEMBL27978656 0.72 HSP90AA1 (0.45) KMT2AMEN1EPHX2NR1H4ALDH1A1
SCHEMBL13376795 0.69 LMNA (0.50) KMT2AMEN1EPHX2ALDH1A1KDM4E
SCHEMBL8209183 0.69 CA1 (0.51) KMT2AEPHX2NR1H4NAMPTMAPK1
SCHEMBL933462 0.69 ALDH1A1 (0.59) KMT2AMEN1EPHX2NR1H4ALDH1A1
SCHEMBL5445398 0.68 EPHX2 (0.59) KMT2AEPHX2NR1H4ALDH1A1GAA
SCHEMBL4899305 0.68 EPHX2 (0.59) KMT2AEPHX2NR1H4ALDH1A1SMN1; SMN2
SCHEMBL3037834 0.68 GBA1 (0.56) SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572683-B1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-03-30 US disclosed
EP-1572683-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056808-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO 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-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 CCR5, CCR2, CXCR4 KMT2A 3736/4885MEN1 4780/4885EPHX2 1764/4885

“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.