SCHEMBL19084913

SCHEMBL19084913

CNC(C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NC(C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.40
▸ KEAP1 Q14145 3/20 0.40
▸ TFPI P10646 1/20 0.40
▸ IL23R Q5VWK5 4/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL18773431 0.93 TFPI (0.42) OPRL1KEAP1TFPIIL23RRXFP1
SCHEMBL18773423 0.89 KEAP1 (0.41) OPRL1KEAP1TFPIIL23RRXFP1
SCHEMBL18773409 0.84 TFPI (0.43) KEAP1TFPIIL23RRXFP1
SCHEMBL18773238 0.84 TFPI (0.43) OPRL1TFPIIL23RRXFP1
SCHEMBL19084487 0.83 TFPI (0.44) OPRL1KEAP1TFPIIL23RRXFP1
SCHEMBL19084491 0.80 TFPI (0.41) KEAP1TFPIIL23RRXFP1
SCHEMBL19085021 0.80 TFPI (0.41) KEAP1TFPIIL23R
SCHEMBL10168798 0.80 TFPI (0.51) TFPIRXFP1
SCHEMBL19084899 0.79 TFPI (0.42) KEAP1TFPI
SCHEMBL30942619 0.79 IL23R (0.48) TFPIIL23RRXFP1

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-9951103-B2 Beta sheet tapes ribbons in tissue engineering UNIVERSITY OF LEEDS (GB) 2018-04-24 — — US disclosed
US-20170190740-A1 BETA SHEET TAPES RIBBONS IN TISSUE ENGINEERING UNIVERSITY OF LEEDS (GB) 2017-07-06 — — 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-20170190740-A1 BETA SHEET TAPES RIBBONS IN TISSUE ENGINEERING IAPP, KRT18, TAGLN2 OPRL1 3870/4885KEAP1 3959/4885TFPI 3734/4885

“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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