SCHEMBL6734367

SCHEMBL6734367

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CASR P41180 1/20 0.32
KMT2A Q03164 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
USP1 O94782 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6741613 0.93 SIGMAR1 (0.40) PKMSIGMAR1EPHX1CASRGMNN
SCHEMBL7659615 0.88 SIGMAR1 (0.34) SIGMAR1KMT2ASLC6A4
SCHEMBL6896654 0.87 PKM (0.40) PKMSIGMAR1CASRALDH1A1
SCHEMBL27562645 0.87 PKM (0.40) PKMSIGMAR1CASRALDH1A1
SCHEMBL6893494 0.84 KDM5A (0.35) EPHX1CNR1CNR2CASRGMNN
SCHEMBL7214057 0.84 NPC1 (0.41) SIGMAR1L3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL6736046 0.84 SIGMAR1 (0.33) SIGMAR1L3MBTL1CASRGMNNUSP2
SCHEMBL7214034 0.84 NPC1 (0.41) SIGMAR1L3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL7214714 0.84 NPC1 (0.41) SIGMAR1L3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL6731438 0.83 PKM (0.41) PKMSIGMAR1L3MBTL1EPHX1CNR1

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-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS PKM 4021/4885SIGMAR1 551/4885L3MBTL1 4844/4885

“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.