SCHEMBL31123352

SCHEMBL31123352

CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ BACE1 P56817 10/20 0.58
▸ BACE2 Q9Y5Z0 3/20 0.58
▸ CTSD P07339 1/20 0.50
▸ OPRD1 P41143 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ IL23R Q5VWK5 1/20 0.49
▸ KISS1R Q969F8 1/20 0.48

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
SCHEMBL30430659 0.91 BACE1 (0.60) TFPIBACE1BACE2CTSDOPRD1
SCHEMBL30865074 0.82 NPY4R (0.60) TFPIBACE1BACE2IL23R
SCHEMBL30883259 0.82 TFPI (0.62) TFPIBACE1BACE2
SCHEMBL34460636 0.82 CALCR (0.59) TFPI
SCHEMBL29356579 0.82 GLP1R (0.56) TFPIBACE1BACE2
SCHEMBL30512508 0.82 OPRD1 (0.53) BACE1BACE2CTSDOPRD1
SCHEMBL29649718 0.81 OPRD1 (0.60) BACE1BACE2CTSDOPRD1
SCHEMBL14005788 0.81 BACE1 (0.59) TFPIBACE1BACE2OPRD1CASP1
SCHEMBL30184264 0.81 TFPI (0.62) TFPIBACE1BACE2CTSD
SCHEMBL30607373 0.80 BACE1 (0.62) BACE1BACE2CTSDOPRD1KISS1R

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-20250320250-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISCERAL PAIN IRONWOOD PHARMACEUTICALS INC (US) 2025-10-16 — — US disclosed
CN-118647392-A Pharmaceutical composition for treating visceral pain 硬木药品公司 2024-09-13 — — CN 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-20250320250-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISCERAL PAIN VIP, FABP2, TRPV1 TFPI 1899/4885BACE1 3210/4885BACE2 3090/4885

“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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