SCHEMBL16645085

SCHEMBL16645085

CC(C)[C@@H](NC(=O)CCN)C(=O)N[C@H](CCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 6/20 0.45
▸ CALCRL Q16602 1/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PDF Q9HBH1 1/20 0.41
▸ HRH1 P35367 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ EHMT2 Q96KQ7 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
SCHEMBL15686242 0.94 NMT2 (0.45) FURINCALCRLKLKB1PLGPDF
SCHEMBL16645118 0.89 FURIN (0.47) FURINCALCRLKLKB1PLGPDF
SCHEMBL17661798 0.88 FURIN (0.42) FURINCALCRLKLKB1PLGPDF
SCHEMBL14978855 0.85 NMT2 (0.45) FURINCALCRLKLKB1CTSLNMT2
SCHEMBL15692124 0.85 NMT2 (0.45) FURINCALCRLKLKB1CTSLNMT2
SCHEMBL16274147 0.85 FAP (0.38) FURINCALCRLKLKB1PLGPDF
SCHEMBL24864487 0.85 KLKB1 (0.44) FURINCALCRLKLKB1PLGPDF
SCHEMBL20332469 0.85 CA2 (0.45) FURIN
SCHEMBL29335395 0.84 KLKB1 (0.43) FURINCALCRLKLKB1PLGPDF
SCHEMBL15699715 0.83 FURIN (0.39) FURINCALCRLKLKB1CTSLNMT2

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-9849191-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2017-12-26 — — US disclosed
US-20150104407-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2015-04-16 — — 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-20150104407-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, STAMBP, TSPO FURIN 3298/4885CALCRL 3765/4885KLKB1 3486/4885

“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