SCHEMBL6407500

SCHEMBL6407500

Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1NC(=O)CN1CC2CCC(C1)N2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
CTSD P07339 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD4 P21917 2/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6410153 0.84 KDM4E (0.43) L3MBTL1KDM4EALDH1A1PKMCTSD
SCHEMBL6341574 0.77 MEN1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL6403530 0.75 ALDH1A1 (0.49) KDM4EALDH1A1CTSDKMT2APOLB
SCHEMBL6407647 0.73 PI4KB (0.34) L3MBTL1KDM4EALDH1A1PKMCTSD
SCHEMBL6408514 0.73 KDM4E (0.36) L3MBTL1KDM4EALDH1A1PKMCTSD
SCHEMBL6410968 0.73 RORC (0.37) L3MBTL1KDM4EALDH1A1PKMKMT2A
SCHEMBL6410963 0.73 RORC (0.37) L3MBTL1KDM4EALDH1A1PKMKMT2A
SCHEMBL6407652 0.73 L3MBTL1 (0.32) L3MBTL1KDM4EALDH1A1CTSDKMT2A
SCHEMBL6405533 0.72 PKM (0.37) L3MBTL1KDM4EALDH1A1PKMKMT2A
SCHEMBL6405526 0.72 PKM (0.37) L3MBTL1KDM4EALDH1A1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 L3MBTL1 4881/4885KDM4E 1566/4885ALDH1A1 68/4885

“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.