SCHEMBL4713086

SCHEMBL4713086

CN(C1CCC(N)CC1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4713084 1.00 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL14295197 0.88
Hydrochloric Acid SCHEMBL4566681 0.85 CYP4F2 (0.35) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL22098331 0.79 CYP4F2 (0.36) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL13744664 0.79 CYP4F2 (0.36) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL15867020 0.78 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14500716 0.77 CYP4F2 (0.33) CYP4F2CYP4A11KDM4EMEN1ALDH1A1
SCHEMBL762461 0.76 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL16368849 0.74 HTR2A (0.38) MEN1ALDH1A1KMT2A
SCHEMBL12548932 0.74 CYP4F2 (0.39) CYP4F2CYP4A11KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 CYP4F2 1497/4885CYP4A11 987/4885KDM4E 2108/4885
US-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 CYP4F2 1612/4885CYP4A11 742/4885KDM4E 2657/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 CYP4F2 1024/4885CYP4A11 853/4885KDM4E 2135/4885

“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.