SCHEMBL17385235

SCHEMBL17385235

C[C@H](NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ RAMP3 O60896 10/20 0.47
▸ CALCR P30988 10/20 0.47
▸ AKT1 P31749 1/20 0.46
▸ PLCG1 P19174 1/20 0.46
▸ CAPN1 P07384 2/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP2 P42575 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP8 Q14790 1/20 0.44

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
SCHEMBL15185936 0.82 RAMP3 (0.51) RAMP3CALCRAKT1
SCHEMBL29436324 0.80 SLC15A2 (0.57) FOLH1TDP1PLCG1CAPN1
SCHEMBL10033418 0.78 TDP1 (0.51) FOLH1TDP1CAPN1CASP3CASP1
SCHEMBL31378126 0.78 TDP1 (0.66) FOLH1TDP1CAPN1
SCHEMBL31433227 0.76 TDP1 (0.59) FOLH1TDP1CAPN1CASP3CASP1
SCHEMBL20827735 0.76 FOLH1 (0.51) FOLH1TDP1CAPN1CASP3CASP1
SCHEMBL12303008 0.75 CNR1 (0.54) FOLH1TDP1CAPN1CASP3CASP1
SCHEMBL9807479 0.75 TDP1 (0.77) FOLH1TDP1CAPN1
SCHEMBL13311812 0.75 TDP1 (0.56) FOLH1TDP1CAPN1CASP3CASP1
SCHEMBL13311852 0.74 TDP1 (0.55) FOLH1TDP1CAPN1CASP3CASP1

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-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-20 — — US disclosed
WO-2015200080-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS AG (CH) 2015-12-30 — — WO 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-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS PTMS, DNPEP, ANPEP FOLH1 79/4885TDP1 2957/4885RAMP3 636/4885

“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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