SCHEMBL1800872

SCHEMBL1800872

C[C@@H](NN1CCOCC1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
HTT P42858 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1799163 0.74 TSHR (0.41) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL15845026 0.73 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APKMALDH1A1
SCHEMBL1090093 0.72 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9APKMALDH1A1
SCHEMBL1802768 0.72 HTT (0.41) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL31461530 0.72 CA12 (0.39) SMN1; SMN2PKMALDH1A1MEN1KMT2A
SCHEMBL26042973 0.70 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL30394130 0.70 GAA (0.49) SMN1; SMN2KDM4EALDH1A1CA12CA1
SCHEMBL26451646 0.70 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL2129974 0.69 AAK1 (0.42) SMN1; SMN2RAB9APKMKDM4EALDH1A1
SCHEMBL2715770 0.69 AAK1 (0.42) SMN1; SMN2RAB9APKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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 (2 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 SMN1; SMN2 4037/4885NPC1 2401/4885RAB9A 2137/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 SMN1; SMN2 4368/4885NPC1 1986/4885RAB9A 1471/4885

“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.