SCHEMBL22375047

SCHEMBL22375047

CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.50
▸ KISS1R Q969F8 2/20 0.46
▸ GNPAT O15228 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ IL23R Q5VWK5 3/20 0.45
▸ NPY4R P50391 6/20 0.45
▸ NPY1R P25929 5/20 0.45
▸ NPY2R P49146 5/20 0.45
▸ NPY5R Q15761 5/20 0.45
▸ QRFPR Q96P65 1/20 0.44
▸ CTSK P43235 1/20 0.43

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
SCHEMBL22375094 0.96 TFPI (0.55) TFPIIL23R
SCHEMBL22374476 0.92 TFPI (0.53) TFPIKISS1RGNPATSMN1; SMN2IL23R
SCHEMBL22374474 0.92 TFPI (0.53) TFPIKISS1RGNPATSMN1; SMN2IL23R
SCHEMBL22374967 0.91 TFPI (0.51) TFPIKISS1RGNPATSMN1; SMN2IL23R
SCHEMBL22374968 0.91 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5R
SCHEMBL22375072 0.90 TFPI (0.50) TFPIKISS1RIL23RNPY4RNPY1R
SCHEMBL22375073 0.89 NPY4R (0.53) TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL22374590 0.88 TFPI (0.58) TFPIKISS1RIL23R
SCHEMBL22374514 0.88 TFPI (0.56) TFPIIL23R
SCHEMBL30924725 0.88 IL23R (0.54) TFPIKISS1RIL23RNPY4RNPY1R

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 2882/4885KISS1R 4604/4885GNPAT 127/4885

“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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