SCHEMBL31013468

SCHEMBL31013468

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 8/20 0.59
▸ GLP1R P43220 3/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57
▸ PCSK9 Q8NBP7 2/20 0.56
▸ EDNRA P25101 1/20 0.56
▸ IL23R Q5VWK5 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ CCKAR P32238 1/20 0.54
▸ KISS1R Q969F8 1/20 0.53
▸ CXCR4 P61073 1/20 0.53

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
SCHEMBL31013478 1.00 PTH1R (0.59) PTH1RGLP1RECE1MUS81PCSK9
SCHEMBL30093077 0.91 PCSK9 (0.64) PTH1RGLP1RECE1MUS81PCSK9
SCHEMBL30533150 0.90 EDNRA (0.64) PTH1RGLP1RECE1MUS81EDNRA
SCHEMBL30094127 0.89 IL23R (0.57) PTH1RGLP1RECE1MUS81IL23R
SCHEMBL31622725 0.89 GLP1R (0.57) PTH1RGLP1RECE1MUS81EDNRA
SCHEMBL30130580 0.88 EDNRA (0.59) PTH1RGLP1RECE1MUS81PCSK9
SCHEMBL30130549 0.88 EDNRA (0.59) PTH1RGLP1RECE1MUS81PCSK9
SCHEMBL30320524 0.88 GLP1R (0.58) PTH1RGLP1RECE1MUS81PCSK9
SCHEMBL30093029 0.88 EDNRA (0.57) EDNRAKISS1R
SCHEMBL30093090 0.88 PCSK9 (0.61) PTH1RGLP1RECE1MUS81PCSK9

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-20240252662-A1 PEPTIDE DRUG CONJUGATES SPECIFIC TO FIBRONECTIN ISOTYPES FOR CANCER THERAPY CASE WESTERN RESERVE UNIVERSITY 2024-08-01 — — 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-20240252662-A1 PEPTIDE DRUG CONJUGATES SPECIFIC TO FIBRONECTIN ISOTYPES FOR CANCER THERAPY FN1, IDUA, INHA PTH1R 2633/4885GLP1R 1754/4885ECE1 1221/4885

“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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