SCHEMBL19776913

SCHEMBL19776913

CC(C)C(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)OCCS(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 2/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ CTSL P07711 1/20 0.38
▸ FAP Q12884 3/20 0.37
▸ FURIN P09958 6/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ HRH1 P35367 2/20 0.35

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
SCHEMBL20349812 1.00 NMT2 (0.39) NMT2NMT1CTSLFAPFURIN
SCHEMBL17860183 0.90 NMT2 (0.40) NMT2NMT1CTSLFAPFURIN
SCHEMBL20287697 0.90 NMT1 (0.38) NMT2NMT1TLR2ROCK2PRKACA
SCHEMBL22349913 0.89 HRH1 (0.38) NMT2NMT1CTSLFURINHRH1
SCHEMBL20349757 0.89 HRH1 (0.38) NMT2NMT1CTSLFURINHRH1
SCHEMBL17860132 0.87 NMT1 (0.41) NMT2NMT1CTSLFAPFURIN
SCHEMBL20287670 0.87 NMT1 (0.41) NMT2NMT1CTSLFAPFURIN
SCHEMBL22134346 0.87 NMT1 (0.41) NMT2NMT1CTSLFAPFURIN
SCHEMBL24993722 0.86 FURIN (0.42) NMT2NMT1CTSLFURINPRSS1
SCHEMBL29647873 0.85 FAP (0.38) NMT2NMT1FAPFURINPRSS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 — — 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-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES TNFSF11, TNFRSF9, CD40 NMT2 1316/4885NMT1 1230/4885CTSL 1456/4885

“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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