SCHEMBL16407974

SCHEMBL16407974

CCC(=O)OC[C@@H](CSC[C@@H](N)C(=O)NNCC(=O)NC(CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NC(CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NC(CCC(=O)O)C(=O)C(=O)[C@H](CCCCN)NC(C)C)[C@@H](C)CC)OC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.43
▸ F2 P00734 2/20 0.43
▸ PTH1R Q03431 2/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ OPRL1 P41146 1/20 0.40
▸ TFPI P10646 1/20 0.40
▸ VIPR1 P32241 1/20 0.40
▸ KISS1R Q969F8 2/20 0.40

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
SCHEMBL29352758 0.83 TLR2 (0.58) TLR2F2BACE1OPRL1
SCHEMBL29473672 0.75 OPRL1 (0.55) F2PTH1RBACE1OPRL1TFPI
SCHEMBL16407972 0.75 TLR2 (0.51) TLR2
SCHEMBL29972087 0.74 KISS1R (0.56) F2PTH1RBACE1OPRL1TFPI
SCHEMBL29649210 0.74 TFPI (0.56) PTH1RBACE1TFPIVIPR1KISS1R
SCHEMBL31026565 0.72 OPRL1 (0.52) F2OPRL1KISS1R
SCHEMBL30974224 0.72 OPRL1 (0.56) F2PTH1RBACE1OPRL1
SCHEMBL30633108 0.72 KISS1R (0.61) TFPIVIPR1KISS1R
SCHEMBL16407973 0.72 TLR2 (0.46) TLR2
SCHEMBL30974440 0.71 OPRL1 (0.56) F2OPRL1TFPI

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-20170072037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making THE UNIVERSITY OF TOLEDO (US) 2017-03-16 — — US disclosed
US-20150024037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making THE UNIVERSITY OF TOLEDO (US) 2015-01-22 — — 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-20170072037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making CSGALNACT1, B3GAT3, LGALS3BP TLR2 710/4885F2 4328/4885PTH1R 4882/4885
US-20150024037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making CSGALNACT1, GALNT1, DPAGT1 TLR2 66/4885F2 4546/4885PTH1R 4854/4885

“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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