SCHEMBL18773238

SCHEMBL18773238

CN[C@@H](CO)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)N[C@@H](CO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ NMT2 O60551 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ QRFPR Q96P65 1/20 0.39
▸ NPY4R P50391 4/20 0.39
▸ NPY1R P25929 3/20 0.39
▸ NPY5R Q15761 3/20 0.39
▸ NPY2R P49146 2/20 0.39
▸ IL23R Q5VWK5 3/20 0.38
▸ OPRL1 P41146 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL19085021 0.96 TFPI (0.41) TFPITLR2NMT2NMT1QRFPR
SCHEMBL18773409 0.90 TFPI (0.43) TFPITLR2NPY4RNPY1RNPY5R
SCHEMBL19084487 0.90 TFPI (0.44) TFPITLR2NPY4RNPY1RNPY5R
SCHEMBL19084491 0.86 TFPI (0.41) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL19084899 0.85 TFPI (0.42) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL19084913 0.84 OPRL1 (0.40) TFPIIL23ROPRL1RXFP1
SCHEMBL10168798 0.84 TFPI (0.51) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL10168602 0.83 TFPI (0.53) TFPINMT2NMT1NPY4RNPY1R
SCHEMBL19791184 0.82 QRFPR (0.38) TFPITLR2NMT2NMT1QRFPR
SCHEMBL19791180 0.82 QRFPR (0.38) TFPITLR2NMT2NMT1QRFPR

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 3 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
US-9630991-B2 βsheet tapes ribbons in tissue engineering UNIVERSITY OF LEEDS (GB) 2017-04-25 — — 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 TFPI 3734/4885TLR2 4880/4885NMT2 1239/4885

“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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