Sugi Predict

Sugi Predict / Compounds / SCHEMBL13575403

SCHEMBL13575403

SCHEMBL13575403

CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12)N[C@@H](C)C=O)N[C@@H](C=O)CCC(N)=O)N[C@@H](C=O)CCC(=O)O)N[C@@H](C=O)CC(C)C)N[C@@H](C=O)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.41
▸ IL23R Q5VWK5 4/20 0.41
▸ KISS1R Q969F8 8/20 0.40
▸ MMP1 P03956 2/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL13610984 0.99 RXFP1 (0.40) RXFP1IL23RKISS1RMMP1CXCR4
SCHEMBL13611041 0.95 CTSL (0.40) IL23RKISS1RMMP1NPBWR1MMP2
SCHEMBL13610994 0.94 CTSL (0.40) RXFP1IL23RKISS1RMMP1CXCR4
SCHEMBL12212612 0.76 RXFP1 (0.35) RXFP1IL23RKISS1RMMP1
SCHEMBL13610989 0.74 NPY5R (0.32) —
SCHEMBL12212619 0.73 RXFP1 (0.33) RXFP1IL23RKISS1RMMP1NPBWR1
SCHEMBL12212618 0.73 RXFP1 (0.33) RXFP1IL23RKISS1RMMP1NPBWR1
SCHEMBL12903788 0.73 MMP1 (0.51) RXFP1IL23RKISS1RMMP1NPBWR1
SCHEMBL16882217 0.73 MMP1 (0.51) RXFP1IL23RKISS1RMMP1NPBWR1
SCHEMBL13575405 0.73 RAMP3 (0.37) CXCR4

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-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 — — 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-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP RXFP1 1766/4885IL23R 440/4885KISS1R 2690/4885

“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.