SCHEMBL16792012

SCHEMBL16792012

O=C(CCCCCc1ccccc1)N(O)CCCP(=O)(O)O

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.68
KDM5A P29375 1/20 0.68
KDM4C Q9H3R0 1/20 0.68
PHF8 Q9UPP1 1/20 0.68
KDM2A Q9Y2K7 1/20 0.68
ALOX5 P09917 7/20 0.62
S1PR2 O95136 1/20 0.55
S1PR4 O95977 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL16352104 0.94 ALOX5 (0.70) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL16341566 0.93 ALOX5 (0.68) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL16352102 0.90 ALOX5 (0.72) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL16341565 0.83 ALOX5 (0.65) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL10691673 0.82 ALOX5 (0.90) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL16352103 0.81 ALOX5 (0.52) ALOX5
SCHEMBL16322681 0.80 ALOX5 (0.51) ALOX5
SCHEMBL28147120 0.79 ALOX5 (0.72) KDM4AKDM5AKDM4CPHF8KDM2A
SCHEMBL8949998 0.79 S1PR2 (0.75) S1PR2S1PR4S1PR1S1PR3MAPT
SCHEMBL3208019 0.79 S1PR2 (0.75) S1PR2S1PR4S1PR1S1PR3MAPT

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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY KDM4A 3863/4885KDM5A 3609/4885KDM4C 4487/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY KDM4A 4640/4885KDM5A 4638/4885KDM4C 4829/4885

“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.