SCHEMBL22374514

SCHEMBL22374514

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ IL23R Q5VWK5 12/20 0.51
▸ HRH1 P35367 1/20 0.48
▸ OPRL1 P41146 2/20 0.46

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
SCHEMBL22374967 0.96 TFPI (0.51) TFPIIL23R
SCHEMBL22374590 0.94 TFPI (0.58) TFPIIL23RHRH1OPRL1
SCHEMBL22375094 0.92 TFPI (0.55) TFPIIL23RHRH1OPRL1
SCHEMBL22375075 0.90 TFPI (0.48) TFPIIL23RHRH1OPRL1
SCHEMBL22374476 0.90 TFPI (0.53) TFPIIL23R
SCHEMBL22374474 0.90 TFPI (0.53) TFPIIL23R
SCHEMBL22375047 0.88 TFPI (0.50) TFPIIL23R
SCHEMBL22375042 0.87 TFPI (0.51) TFPIIL23RHRH1OPRL1
SCHEMBL22374703 0.87 NPY4R (0.52) —
SCHEMBL29993768 0.86 NPY4R (0.55) TFPI

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 TFPI 2882/4885IL23R 4642/4885HRH1 4831/4885

“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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