SCHEMBL22969135

SCHEMBL22969135

CC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(C)=O)C(=O)NCC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.50
▸ NMUR1 Q9HB89 5/20 0.50
▸ IL23R Q5VWK5 1/20 0.47
▸ OPRD1 P41143 6/20 0.43
▸ OPRM1 P35372 8/20 0.43
▸ MC4R P32245 1/20 0.42
▸ MC5R P33032 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ MC1R Q01726 1/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL22969109 0.99 NMUR2 (0.49) NMUR2NMUR1IL23ROPRD1OPRM1
SCHEMBL22969133 0.91 IL23R (0.56) NMUR2NMUR1IL23RMC4RMC5R
SCHEMBL22969058 0.88 IL23R (0.45) IL23RMC4R
SCHEMBL22969136 0.87 IL23R (0.50) NMUR2NMUR1IL23ROPRM1OPRK1
SCHEMBL22969105 0.87 IL23R (0.48) NMUR2NMUR1IL23ROPRM1OPRK1
SCHEMBL22968955 0.78 IL23R (0.57) IL23RMC4R
SCHEMBL22969060 0.78 IL23R (0.57) IL23RMC4R
SCHEMBL22969148 0.78 IL23R (0.56) IL23RMC4R
SCHEMBL22969057 0.78 IL23R (0.49) IL23R
SCHEMBL22969250 0.77 IL23R (0.58) IL23R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793884-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain OHIO STATE INNOVATION FOUNDATION (US) 2023-10-24 — — US disclosed
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN OHIO STATE INNOVATION FOUNDATION 2021-02-11 — — 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 (2 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-11793884-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain CNBP, CALU, CLSPN NMUR2 3692/4885NMUR1 3329/4885IL23R 4090/4885
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN CNBP, CALU, CLSPN NMUR2 3692/4885NMUR1 3329/4885IL23R 4090/4885

“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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