SCHEMBL22737191

SCHEMBL22737191

NC(CC(=O)NCCCCCC(=O)O)CC(=O)NCCCC[C@H](NC=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.43
▸ FOLH1 Q04609 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ EPHX2 P34913 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ GLP1R P43220 7/20 0.37
▸ ENPEP Q07075 1/20 0.37

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
SCHEMBL22737351 0.84 FOLH1 (0.47) NOD1FOLH1PRMT1GLP1R
SCHEMBL18583123 0.82 LMNA (0.44) NOD1FOLH1ALDH1A1ENPEP
SCHEMBL10699563 0.81 FOLH1 (0.45) FOLH1ALDH1A1ENPEP
SCHEMBL24282431 0.80 NOD1 (0.51) NOD1FOLH1EPHX2GLP1R
SCHEMBL29334247 0.78 NOD1 (0.39) NOD1FOLH1
SCHEMBL20341466 0.78 FOLH1 (0.67) FOLH1
SCHEMBL18164733 0.78 FOLH1 (0.67) FOLH1
SCHEMBL27325107 0.76 FOLH1 (0.46) NOD1FOLH1GLP1R
SCHEMBL25548901 0.76 MEN1 (0.53) NOD1FOLH1EPHX2
SCHEMBL24135883 0.75 C3AR1 (0.41) NOD1FOLH1

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-20200377549-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2020-12-03 — — 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-20200377549-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NOD1 4292/4885FOLH1 1/4885PRMT1 1471/4885

“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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