SCHEMBL5200067

SCHEMBL5200067

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.52
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FAAH O00519 2/20 0.50
MAPK1 P28482 1/20 0.50
DNM1 Q05193 1/20 0.49
PGGT1B P53609 1/20 0.48
TLR2 O60603 1/20 0.47
SLC6A5 Q9Y345 2/20 0.46
PLA2G2C Q5R387 1/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
DEGS1 O15121 1/20 0.43
ASAH1 Q13510 1/20 0.43

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
SCHEMBL5200064 1.00 NOD1 (0.52) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL21587882 1.00 NOD1 (0.52) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL17204611 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL4741209 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL5664925 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL25188855 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL4741211 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL25264982 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL11426235 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A
SCHEMBL542916 0.87 NOD1 (0.70) NOD1FNTAFNTBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304999-B1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2007-08-15 EP disclosed
US-20070116662-A1 Antiperspirant/deodorant compositions EXXONMOBIL CHEMICAL PATENTS INC. 2007-05-24 US disclosed
WO-2007058735-A1 ANTIPERSPIRANT/DEODORANT COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-24 WO disclosed
EP-1304999-A1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2003-05-02 EP disclosed
US-20020039563-A1 Antiperspirant formulations UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC 2002-04-04 US disclosed
US-6361766-B1 ANHYDROUS FORMULATION COMPRISING PARTICULATE ANTIPERSPIRANT SUSPENDED IN WATER-IMMISCIBLE CARRIER FLUID COMPRISING OXYGEN-CONTAINING EMOLLIENT OIL HAVING SPECIFIED REFRACTIVE INDEX STRUCTURED BY WAX OR NONPOLYMERIC FIBER-FORMING GELLANT UNILEVER HOME & PERSONAL CARE, USA DIVISION OF CONOPCO, INC. 2002-03-26 US disclosed
US-20020034481-A1 Antiperspirant formulations UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-03-21 US disclosed
WO-2002011691-A1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2002-02-14 WO disclosed
WO-2002011692-A1 ANTIPERSPIRANT FORMULATIONS UNILEVER PLC (GB) 2002-02-14 WO disclosed
US-3969087-A Gels of nonpolar liquids with N-acyl amino acids and derivatives thereof as gelling agents AJINOMOTO CO., LTD. (JA) 1976-07-13 US 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-20020034481-A1 Antiperspirant formulations ADH1A, SOAT1, CUTA NOD1 3590/4885FNTA 1164/4885FNTB 1107/4885
US-20070116662-A1 Antiperspirant/deodorant compositions PUF60, DDT, DECR1 NOD1 4844/4885FNTA 1494/4885FNTB 1100/4885
US-20020039563-A1 Antiperspirant formulations ADH1A, SOAT1, CUTA NOD1 4094/4885FNTA 1206/4885FNTB 1887/4885

“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.