SCHEMBL12234243

SCHEMBL12234243

CC(C)(C)OC(=O)CSCCOP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MVD P53602 1/20 0.46
▸ LPAR3 Q9UBY5 7/20 0.35
▸ LPAR2 Q9HBW0 5/20 0.35
▸ LPAR1 Q92633 4/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CCNB2 O95067 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31

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
SCHEMBL12234191 0.80 HDAC3 (0.35) CYP1A2CYP2C9CYP2C19HTTHDAC3
SCHEMBL14822741 0.78 LPAR3 (0.39) LPAR3LPAR2LPAR1HDAC3HDAC1
SCHEMBL12257897 0.77 MVD (0.47) MVDLPAR3LPAR2LPAR1CYP1A2
SCHEMBL12234263 0.76 TSHR (0.34) CYP1A2CYP2C9CYP2C19HTTHDAC3
SCHEMBL23768567 0.76 CYP2C9 (0.40) CYP1A2CYP2C9CYP2C19HTTHDAC3
SCHEMBL882496 0.76 TDP1 (0.39) CYP1A2CYP2C9CYP2C19HTTHDAC3
SCHEMBL4202803 0.75 TSHR (0.43) CYP1A2CYP2C9CYP2C19HTTHDAC3
SCHEMBL12234244 0.75 MVD (0.45) MVDLPAR3LPAR2LPAR1HDAC2
SCHEMBL22145756 0.74 HDAC3 (0.36) CYP1A2CYP2C9CYP2C19HTTHDAC3
SCHEMBL12234242 0.73 CYP1A2 (0.31) CYP1A2CYP2C9CYP2C19HTTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 — — US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 — — US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 — — 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 (3 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 MVD 4583/4885LPAR3 472/4885LPAR2 1899/4885
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F MVD 537/4885LPAR3 1362/4885LPAR2 985/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B MVD 1074/4885LPAR3 1474/4885LPAR2 1165/4885

“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.

Send feedback