SCHEMBL17666010

SCHEMBL17666010

O=C(NCCCC[C@H](NCl)C(=O)c1nccs1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.52
ANPEP P15144 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
DPP8 Q6V1X1 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
HTT P42858 1/20 0.47
TGM2 P21980 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP13 P45452 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
DPP4 P27487 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL17646323 0.87 MAPT (0.60) FOLH1HDAC6
SCHEMBL28341577 0.87 MAPT (0.60) FOLH1HDAC6
SCHEMBL28341559 0.87 ANPEP (0.62) FOLH1ANPEPHDAC6MMP2MMP9
SCHEMBL17646395 0.87 ANPEP (0.62) FOLH1ANPEPHDAC6MMP2MMP9
Hydrochloric Acid SCHEMBL28344079 0.86 ANPEP (0.61) FOLH1ANPEPHDAC6MMP2MMP9
Hydrochloric Acid SCHEMBL17646405 0.86 ANPEP (0.61) FOLH1ANPEPHDAC6MMP2MMP9
SCHEMBL17646277 0.85 F2 (0.49) FOLH1ANPEPHDAC6MMP2MMP9
SCHEMBL17661740 0.82 MAPT (0.54) FOLH1ANPEPHDAC6HTT
SCHEMBL19665654 0.81 HDAC6 (0.50) FOLH1ANPEPHDAC6MMP2MMP9
SCHEMBL17646266 0.81 HDAC6 (0.50) FOLH1ANPEPHDAC6MMP2MMP9

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-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-12-07 US disclosed
US-9758473-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2017-09-12 US disclosed
WO-2016057413-A2 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-14 WO disclosed
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-07 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-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP FOLH1 216/4885ANPEP 21/4885HDAC6 1180/4885
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP FOLH1 216/4885ANPEP 21/4885HDAC6 1180/4885

“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.