SCHEMBL3149682

SCHEMBL3149682

C[C@@H](NCS(C)(=O)=O)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.43
F7 P08709 1/20 0.41
KLKB1 P03952 4/20 0.40
FURIN P09958 1/20 0.38
NAMPT P43490 2/20 0.38
KLK1 P06870 1/20 0.37
F2 P00734 2/20 0.37
HTRA1 Q92743 4/20 0.36
TSHR P16473 1/20 0.35
F10 P00742 1/20 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
SCHEMBL1431611 0.89 KLKB1 (0.40) MASP2F7KLKB1FURINNAMPT
SCHEMBL3157823 0.88 MASP2 (0.44) MASP2F7KLKB1FURINNAMPT
SCHEMBL3157804 0.88 MASP2 (0.44) MASP2F7KLKB1FURINNAMPT
SCHEMBL3149688 0.85 KLKB1 (0.40) MASP2F7KLKB1FURINNAMPT
SCHEMBL3149672 0.85 KLKB1 (0.40) MASP2F7KLKB1FURINNAMPT
SCHEMBL1900640 0.84 KLKB1 (0.43) MASP2F7KLKB1FURINKLK1
SCHEMBL1900645 0.84 KLKB1 (0.43) MASP2F7KLKB1FURINKLK1
SCHEMBL3149326 0.84 KLKB1 (0.41) MASP2F7KLKB1FURINNAMPT
SCHEMBL3148655 0.84 KLKB1 (0.41) MASP2F7KLKB1FURINNAMPT
SCHEMBL3148667 0.84 KLKB1 (0.41) MASP2F7KLKB1FURINNAMPT

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885F7 4272/4885KLKB1 3491/4885

“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.