SCHEMBL5852973

SCHEMBL5852973

CCCCCOC(=O)C(N)C(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
NOD1 Q9Y239 3/20 0.45
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.43
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
GRIK1 P39086 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIK2 Q13002 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7373587 0.94 ALDH1A1 (0.48) NAAAHCAR2NOD1TSHRALDH1A1
SCHEMBL8093944 0.94 ALDH1A1 (0.48) NAAAHCAR2NOD1TSHRALDH1A1
SCHEMBL8088689 0.94 ALDH1A1 (0.48) NAAAHCAR2NOD1TSHRALDH1A1
Hydrochloric Acid SCHEMBL7377200 0.92 ALDH1A1 (0.47) NAAAHCAR2NOD1TSHRALDH1A1
SCHEMBL7371519 0.86 SLC7A5 (0.41) HCAR2NOD1TSHRHTR2CALDH1A1
SCHEMBL8861392 0.86 SLC7A5 (0.41) HCAR2NOD1TSHRHTR2CALDH1A1
SCHEMBL14315869 0.82 TSHR (0.48) NAAAHCAR2EPHX1TSHRHTR2C
SCHEMBL14315830 0.82 TSHR (0.48) NAAAHCAR2EPHX1TSHRHTR2C
SCHEMBL8613349 0.82 NAAA (0.48) NAAAHCAR2NOD1EPHX1TSHR
SCHEMBL3166887 0.82 TSHR (0.48) NAAAHCAR2EPHX1TSHRHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030214-B2 Ureins derived from α, ω, diamino acids and process for their preparation SOLVAY (SOCIETE ANONYME) (BE) 2006-04-18 US disclosed
US-20020058784-A1 Ureins derived from alpha, omega, -diamond acids and process for their preparation CALLENS ROLAND (BE) 2002-05-16 US disclosed
US-6310178-B1 AS THE N-TERMINAL RESIDUE OF BIOLOGICALLY ACTIVE PEPTIDES, E.G, THYROTROPIN RELEASING HORMONE (BY REPLACING THE N-TERMINAL PYROGLUTAMYL GROUP); IMPARTING INCREASED RESISTANCE TO PROTEOLYTIC DIGESTION SOLVAY, S.A. (BE) 2001-10-30 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 (1 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-20020058784-A1 Ureins derived from alpha, omega, -diamond acids and process for their preparation UPP1, URB2, UFM1 NAAA 565/4885HCAR2 3585/4885NOD1 2264/4885

“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.