SCHEMBL455958

SCHEMBL455958

CC(C)[Si](OC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1O)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3711795 1.00 RAB9A (0.34) RAB9AKDM4ENPC1SMN1; SMN2THRB
SCHEMBL10989953 0.83 TOP2A (0.37) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL8412572 0.83 TOP2A (0.37) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL15193068 0.83 TOP2A (0.37) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL13614213 0.81 RAB9A (0.38) RAB9AKDM4ENPC1SMN1; SMN2THRB
SCHEMBL16976870 0.80 RAB9A (0.38) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL16976823 0.80 RAB9A (0.38) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL12035124 0.78 RAB9A (0.38) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL441609 0.76 RAB9A (0.37) RAB9AKDM4ENPC1SMN1; SMN2THRB
SCHEMBL13531627 0.76 RAB9A (0.34) RAB9AKDM4ENPC1SMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382272-B2 Methods of making lubiprostone and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2016-07-05 US disclosed
US-8785663-B2 Polymorphic forms of Lubiprostone APOTEX PHARMACHEM INC. (CA) 2014-07-22 US disclosed
US-8785663-B2 Polymorphic forms of Lubiprostone APOTEX PHARMACHEM INC. (CA) 2014-07-22 US disclosed
US-20130096325-A1 POLYMORPHIC FORMS OF LUBIPROSTONE APOTEX PHARMACHEM INC. (CA) 2013-04-18 US disclosed
US-20130096325-A1 POLYMORPHIC FORMS OF LUBIPROSTONE APOTEX PHARMACHEM INC. (CA) 2013-04-18 US disclosed
US-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-03-15 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-20130096325-A1 POLYMORPHIC FORMS OF LUBIPROSTONE APOB, OSBP2, LDLR RAB9A 4467/4885KDM4E 4687/4885NPC1 260/4885
US-20120065409-A1 METHODS OF MAKING LUBIPROSTONE AND INTERMEDIATES THEREOF PTGIS, LSS, SQLE RAB9A 3902/4885KDM4E 3835/4885NPC1 576/4885

“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.