SCHEMBL22374963

SCHEMBL22374963

CNCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.49
▸ TFPI P10646 1/20 0.46
▸ IL23R Q5VWK5 12/20 0.46
▸ APLNR P35414 1/20 0.44
▸ GLP1R P43220 1/20 0.43
▸ SCTR P47872 1/20 0.43
▸ CD47 Q08722 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
SCHEMBL22374962 0.95 C5AR1 (0.50) C5AR1TFPIIL23RAPLNRGLP1R
SCHEMBL22374849 0.93 C5AR1 (0.47) C5AR1TFPIIL23RAPLNRGLP1R
SCHEMBL22374588 0.93 C5AR1 (0.46) C5AR1TFPIIL23RAPLNRCD47
SCHEMBL22374961 0.91 IL23R (0.52) IL23RAPLNRGLP1RSCTR
SCHEMBL22374772 0.91 C5AR1 (0.45) C5AR1TFPIIL23RAPLNRCD47
SCHEMBL22374846 0.89 IL23R (0.51) IL23RAPLNRGLP1RSCTR
SCHEMBL22374954 0.88 TFPI (0.55) TFPIIL23R
SCHEMBL22375041 0.88 IL23R (0.50) C5AR1TFPIIL23R
SCHEMBL22374516 0.87 IL23R (0.49) C5AR1TFPIIL23R
SCHEMBL29904562 0.87 C5AR1 (0.55) C5AR1APLNRGLP1RSCTRCD47

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 C5AR1 4658/4885TFPI 2882/4885IL23R 4642/4885

“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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