SCHEMBL3999902

SCHEMBL3999902

CCCCCS(=O)(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
CA2 P00918 6/20 0.43
DNM1 Q05193 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
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
SCHEMBL14892312 0.97 FAAH (0.52) FAAHCA2DNM1CES1CES2
SCHEMBL28384730 0.97 FAAH (0.52) FAAHCA2DNM1CES1CES2
SCHEMBL17109068 0.97 FAAH (0.52) FAAHCA2DNM1CES1CES2
SCHEMBL19776015 0.97 FAAH (0.52) FAAHCA2DNM1CES1CES2
SCHEMBL470467 0.92 LMNA (0.42) FAAHCA2DNM1NPC1S1PR2
SCHEMBL4452469 0.80
SCHEMBL24575966 0.80 FAAH (0.50) FAAHCA2DNM1NPC1S1PR2
SCHEMBL9641486 0.80 CA2 (0.45) FAAHCA2
SCHEMBL14892276 0.80 FAAH (0.44) FAAHCA2DNM1CES1CES2
SCHEMBL17118120 0.80 FAAH (0.44) FAAHCA2DNM1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218167-B N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita 河南科技大学 2021-09-24 CN claimed
CN-114195772-B 1,2, 4-oxadiazole derivative containing 1,3, 4-thiadiazole unit, and preparation method and application thereof 贵州大学 2023-06-30 CN disclosed
CN-114195772-A 1,2, 4-oxadiazole derivative containing 1,3, 4-thiadiazole unit and preparation method and application thereof 贵州大学 2022-03-18 CN disclosed
CN-110240533-B Preparation method of N, N-dimethyl sulfonamide derivative 河南科技大学 2022-03-18 CN disclosed
CN-110218167-B N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita 河南科技大学 2021-09-24 CN disclosed
CN-110218167-B N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita 河南科技大学 2021-09-24 CN disclosed
CN-110218167-B N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita 河南科技大学 2021-09-24 CN disclosed
US-9187450-B2 Substituted pyridine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 US disclosed
EP-2592076-B1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-05-13 EP disclosed
US-20140213549-A9 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2014-07-31 US disclosed
US-20140005143-A2 Substituted PyridineCompound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2592076-A1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-15 EP disclosed
US-20130109653-A1 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2013-05-02 US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
EP-1696912-A4 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2009-06-03 EP disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 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 (4 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-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 FAAH 4719/4885CA2 4539/4885DNM1 2443/4885
US-20140213549-A9 Substituted Pyridine Compound CETP, MTTP, PRCP FAAH 67/4885CA2 607/4885DNM1 1913/4885
US-20140005143-A2 Substituted PyridineCompound CETP, MTTP, CES1 FAAH 64/4885CA2 787/4885DNM1 2187/4885
US-20130109653-A1 Substituted Pyridine Compound CETP, MTTP, PRCP FAAH 67/4885CA2 607/4885DNM1 1913/4885

“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.