SCHEMBL22375041

SCHEMBL22375041

CC(=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(C)=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 12/20 0.50
▸ TFPI P10646 1/20 0.49
▸ C5AR1 P21730 1/20 0.46
▸ OPRM1 P35372 5/20 0.46
▸ OPRK1 P41145 5/20 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
SCHEMBL22374516 0.95 IL23R (0.49) IL23RTFPIC5AR1OPRM1OPRK1
SCHEMBL29904555 0.91 NPY4R (0.53) IL23RC5AR1
SCHEMBL22374588 0.90 C5AR1 (0.46) IL23RTFPIC5AR1
SCHEMBL29904562 0.90 C5AR1 (0.55) C5AR1
SCHEMBL22374772 0.88 C5AR1 (0.45) IL23RTFPIC5AR1
SCHEMBL22374849 0.88 C5AR1 (0.47) IL23RTFPIC5AR1
SCHEMBL22374963 0.88 C5AR1 (0.49) IL23RTFPIC5AR1
SCHEMBL6035701 0.87 OPRM1 (0.58) TFPIOPRM1OPRK1
SCHEMBL22374590 0.87 TFPI (0.58) IL23RTFPI
SCHEMBL22374947 0.87 C5AR1 (0.46) IL23RTFPIC5AR1

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

“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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