SCHEMBL4238352

SCHEMBL4238352

CCCCCCCCCCCC(=O)N(CCCC[C@H](N)C(=O)O)C(=O)CCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.50
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
DDAH1 O94760 2/20 0.46
GSR P00390 1/20 0.43
NOS1 P29475 1/20 0.43
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PHF8 Q9UPP1 1/20 0.42

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
SCHEMBL7770236 1.00 NOD1 (0.50) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9314969 1.00 NOD1 (0.50) NOD1GRIK1GRIK2SLC1A2SLC1A1
Octadecylamine SCHEMBL2156922 0.94 GSR (0.54) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL4242241 0.94 GSR (0.54) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL5063128 0.92 EPHX2 (0.53) FFAR4FFAR1
SCHEMBL2344189 0.86 NOS1 (0.55) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL26493009 0.82 GRIK1 (0.57) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL23531056 0.82 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL262931 0.82 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL3696618 0.82 GRIK1 (0.69) NOD1GRIK1GRIK2SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236453-A1 METHOD FOR TREATING RHEUMATOID ARTHRITIS THE WILLIAM M. YARBROUGH FOUNDATION 2021-08-05 US disclosed
US-10869855-B2 Method for treating benign prostatic hyperplasia (BPH), prostatitis, and prostate cancer THE WILLIAM M. YARBROUGH FOUNDATION (US) 2020-12-22 US disclosed
US-20200206179-A1 METHOD FOR TREATING BENIGN PROSTATIC HYPERPLASIA (BPH), PROSTATITIS, AND PROSTATE CANCER THE WILLIAM M. YARBROUGH FOUNDATION 2020-07-02 US disclosed
US-10471039-B2 Method for treating skin cancer THE WILLIAM M. YARBROUGH FOUNDATION (US) 2019-11-12 US disclosed
US-10308600-B2 Isothiocyanate functional surfactant and associated method of use THE WILLIAM M. YARBROUGH FOUNDATION (US) 2019-06-04 US disclosed
US-20180289661-A1 Method for Treating Skin Cancer THE WILLIAM M YARBROUGH FOUNDATION 2018-10-11 US disclosed
EP-2725907-B1 METHOD FOR TREATING ECZEMA THE WILLIAM M YARBROUGH FOUND (US) 2018-09-12 EP disclosed
US-8187579-B2 Thickening agent AJINOMOTO CO., INC. (JP) 2012-05-29 US disclosed
US-20090030092-A1 THICKENING AGENT AJINOMOTO CO., INC. (JP) 2009-01-29 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 (7 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-10471039-B2 Method for treating skin cancer MGMT, KRT18, TYR NOD1 3248/4885GRIK1 4665/4885GRIK2 4664/4885
US-10308600-B2 Isothiocyanate functional surfactant and associated method of use STOM, TST, SGMS1 NOD1 266/4885GRIK1 4612/4885GRIK2 4581/4885
US-20090030092-A1 THICKENING AGENT CUTA, NAAA, ACOT7 NOD1 3102/4885GRIK1 2132/4885GRIK2 2675/4885
US-20210236453-A1 METHOD FOR TREATING RHEUMATOID ARTHRITIS MIF, MSR1, MMP12 NOD1 2067/4885GRIK1 3518/4885GRIK2 3719/4885
US-20180289661-A1 Method for Treating Skin Cancer MGMT, KRT18, TYR NOD1 3248/4885GRIK1 4665/4885GRIK2 4664/4885
US-10869855-B2 Method for treating benign prostatic hyperplasia (BPH), prostatitis, and prostate cancer BPHL, KLK3, CTH NOD1 2262/4885GRIK1 4074/4885GRIK2 4189/4885
US-20200206179-A1 METHOD FOR TREATING BENIGN PROSTATIC HYPERPLASIA (BPH), PROSTATITIS, AND PROSTATE CANCER BPHL, KLK3, CTH NOD1 2262/4885GRIK1 4074/4885GRIK2 4189/4885

“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.