SCHEMBL19084914

SCHEMBL19084914

CC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.61
▸ IL23R Q5VWK5 12/20 0.59
▸ MAGI3 Q5TCQ9 1/20 0.57

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
SCHEMBL13166798 0.97 KISS1R (0.64) KISS1RIL23R
SCHEMBL13166805 0.95 IL23R (0.63) KISS1RIL23R
SCHEMBL21173582 0.89 IL23R (0.60) KISS1RIL23R
SCHEMBL30918365 0.86 MAGI3 (0.62) IL23RMAGI3
SCHEMBL31406959 0.86 IL23R (0.62) KISS1RIL23R
SCHEMBL30958858 0.86 IL23R (0.60) IL23RMAGI3
SCHEMBL30163320 0.85 KISS1R (0.54) KISS1RIL23RMAGI3
SCHEMBL30658152 0.85 IL23R (0.65) IL23RMAGI3
SCHEMBL22969044 0.85 IL23R (0.65) IL23RMAGI3
SCHEMBL30276212 0.85 KISS1R (0.62) KISS1RIL23R

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 KISS1R 4278/4885IL23R 3422/4885MAGI3 2002/4885

“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.

Send feedback