SCHEMBL17812998

SCHEMBL17812998

COC(=O)NCCCCC(NC(=O)OC)C(=O)NCCNC(=O)CCN1C(=O)CC(SN2CCC[C@H]2C=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ SIRT2 Q8IXJ6 2/20 0.32
▸ TPSAB1 Q15661 2/20 0.31
▸ OPRL1 P41146 1/20 0.30

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
SCHEMBL17813015 0.84 ACE (0.31) SIRT2
SCHEMBL14864110 0.84 FOLH1 (0.38) FOLH1OPRK1SIRT2TPSAB1
SCHEMBL14980086 0.83 FOLH1 (0.38) FOLH1OPRK1SIRT2TPSAB1
SCHEMBL14864111 0.83 FOLH1 (0.37) FOLH1OPRK1SIRT2TPSAB1
SCHEMBL14980045 0.82 FOLH1 (0.37) FOLH1OPRK1SIRT2TPSAB1
SCHEMBL18724456 0.81 ALDH1A1 (0.31) —
SCHEMBL17812997 0.81 SMN1; SMN2 (0.36) —
SCHEMBL12509458 0.81 — —
SCHEMBL17812993 0.80 SMN1; SMN2 (0.41) —
SCHEMBL15474215 0.79 TPSAB1 (0.36) FOLH1SIRT2TPSAB1

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-9763995-B2 Polymer conjugates of protegrin peptides NEKTAR THERAPEUTICS (US) 2017-09-19 — — US disclosed
US-20160158311-A1 POLYMER CONJUGATES OF PROTEGRIN PEPTIDES NEKTAR THERAPEUTICS 2016-06-09 — — 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-20160158311-A1 POLYMER CONJUGATES OF PROTEGRIN PEPTIDES PSMG3, PSMB11, UBQLN1 FOLH1 1296/4885OPRK1 2760/4885SIRT2 3088/4885

“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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