SCHEMBL412324

SCHEMBL412324

CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.42
▸ CALCR P30988 3/20 0.40
▸ GRPR P30550 1/20 0.36
▸ FNTA P49354 6/20 0.36
▸ FNTB P49356 6/20 0.36
▸ PGGT1B P53609 2/20 0.36
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL412323 1.00 APLNR (0.42) APLNRCALCRGRPRFNTAFNTB
SCHEMBL415551 0.97 APLNR (0.42) APLNRCALCRFNTAFNTBPGGT1B
SCHEMBL415550 0.97 APLNR (0.42) APLNRCALCRFNTAFNTBPGGT1B
SCHEMBL414401 0.95 APLNR (0.41) APLNRCALCRFNTAFNTBPGGT1B
SCHEMBL414400 0.95 APLNR (0.41) APLNRCALCRFNTAFNTBPGGT1B
SCHEMBL416410 0.90 OPRM1 (0.39) APLNR
SCHEMBL416409 0.90 OPRM1 (0.39) APLNR
SCHEMBL31256943 0.84 OPRM1 (0.42) —
SCHEMBL29616320 0.83 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL29941145 0.82 CCKAR (0.42) CALCRKEAP1

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-20220088042-A1 COMBINATION THERAPY INCLUDING SAPC-DOPS FOR THE TREATMENT OF PANCREATIC CANCER UNIVERSITY OF CINCINNATI 2022-03-24 — — US disclosed
US-20120020878-A1 FUSOGENIC PROPERTIES OF SAPOSIN C AND RELATED PROTEINS AND PEPTIDES FOR APPLICATION TO TRANSMEMBRANE DRUG DELIVERY SYSTEMS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2012-01-26 — — 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-20220088042-A1 COMBINATION THERAPY INCLUDING SAPC-DOPS FOR THE TREATMENT OF PANCREATIC CANCER PNLIP, PLA2G2C, SMPD1 APLNR 603/4885CALCR 3463/4885GRPR 552/4885

“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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