SCHEMBL24221975

SCHEMBL24221975

CN[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 3/20 0.56
▸ CPA1 P15085 2/20 0.53
▸ CPA2 P48052 1/20 0.53
▸ CPA4 Q9UI42 1/20 0.53
▸ FOLH1 Q04609 3/20 0.50
▸ MMP1 P03956 2/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ MMP8 P22894 2/20 0.46
▸ MME P08473 2/20 0.46
▸ ACE P12821 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL8270039 0.86 NAALAD2 (0.70) NAALAD2CPA1FOLH1MMP1MMP2
SCHEMBL22315435 0.84 FOLH1 (0.60) NAALAD2FOLH1
SCHEMBL22315882 0.84 FOLH1 (0.60) NAALAD2FOLH1
SCHEMBL22316576 0.84 FOLH1 (0.60) NAALAD2FOLH1
SCHEMBL14554015 0.84 NAALAD2 (0.62) NAALAD2FOLH1MMP1MMP8MME
SCHEMBL22316165 0.83 FOLH1 (0.62) NAALAD2FOLH1
SCHEMBL20431098 0.83 ALDH1A1 (0.48) CPA1MMP1MMP3MMP2MMP12
SCHEMBL14552676 0.83 NAALAD2 (0.61) NAALAD2FOLH1MMP1MMP8MME
SCHEMBL12683553 0.81 MME (0.58) CPA1MMEACEACE2
SCHEMBL164831 0.81 MME (0.58) CPA1MMEACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229614-B2 Supramolecular hydrogel applications to the carotid bodies to treat hypertension and sleep apnea in obesity THE JOHNS HOPKINS UNIVERSITY (US) 2022-01-25 — — 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-11229614-B2 Supramolecular hydrogel applications to the carotid bodies to treat hypertension and sleep apnea in obesity TRPM7, TRPC7, TRPM4 NAALAD2 3142/4885CPA1 1446/4885CPA2 1517/4885

“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.

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