SCHEMBL2336282

SCHEMBL2336282

CCCCCCCCCCCCN(CCCCCCCC)[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.48
SPHK1 Q9NYA1 3/20 0.38
RRM1 P23921 1/20 0.38
EPHX1 P07099 5/20 0.37
DPP7 Q9UHL4 2/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
DNM1 Q05193 1/20 0.35
ALB P02768 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL2336277 1.00 NOD1 (0.48) NOD1SPHK1RRM1EPHX1DPP7
SCHEMBL2351417 0.95 NOD1 (0.44) NOD1SPHK1RRM1EPHX1DPP7
SCHEMBL3151723 0.95 NOD1 (0.44) NOD1SPHK1RRM1EPHX1DPP7
Hydrochloric Acid SCHEMBL31019234 0.94 NOD1 (0.43) NOD1SPHK1RRM1EPHX1DPP7
SCHEMBL28891266 0.89 NOD1 (0.39) NOD1SPHK1RRM1EPHX1DPP7
SCHEMBL20542852 0.88 RRM1 (0.46) NOD1SPHK1RRM1EPHX1DPP7
SCHEMBL20542853 0.88 RRM1 (0.46) NOD1SPHK1RRM1EPHX1DPP7
Hydrochloric Acid SCHEMBL20542896 0.87 RRM1 (0.45) NOD1SPHK1RRM1EPHX1DPP7
Hydrochloric Acid SCHEMBL20542898 0.87 RRM1 (0.45) NOD1SPHK1RRM1EPHX1DPP7
SCHEMBL27515057 0.86 DPP7 (0.37) NOD1SPHK1RRM1EPHX1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974582-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2005-12-13 US claimed
EP-1264590-B1 Cosmetic composition AJINOMOTO KK (JP) 2011-08-24 EP disclosed
US-7608250-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2009-10-27 US disclosed
US-20060029626-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2006-02-09 US disclosed
US-6974582-B2 Cosmetic composition AJINOMOTO CO., INC. (JP) 2005-12-13 US disclosed
US-20040052747-A1 Cosmetic compositions AJINOMOTO CO., INC. (JP) 2004-03-18 US disclosed
US-20030165448-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-09-04 US disclosed
US-20030124155-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-07-03 US disclosed
US-20030124156-A1 Cosmetic composition AJINOMOTO CO., INC. (JP) 2003-07-03 US disclosed
EP-1269969-A1 COSMETIC COMPOSITIONS Ajinomoto Co., Inc. (JP) 2003-01-02 EP disclosed
EP-1264590-A2 Cosmetic composition Ajinomoto Co., Inc. (JP) 2002-12-11 EP disclosed
EP-1264591-A2 Cosmetic composition Ajinomoto Co., Inc. (JP) 2002-12-11 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 (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-20030165448-A1 Cosmetic composition CUTA, ARGLU1, ASS1 NOD1 4534/4885SPHK1 1284/4885RRM1 1880/4885
US-20060029626-A1 Cosmetic composition CUTA, NGLY1, ARG1 NOD1 4286/4885SPHK1 1536/4885RRM1 2622/4885
US-20030124155-A1 Cosmetic composition CUTA, ASS1, SMS NOD1 4831/4885SPHK1 737/4885RRM1 2822/4885
US-20030124156-A1 Cosmetic composition CUTA, PARG, PARN NOD1 4865/4885SPHK1 540/4885RRM1 2816/4885

“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.