SCHEMBL2678685

SCHEMBL2678685

C=CCCCCCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
CA2 P00918 9/20 0.38
CA9 Q16790 8/20 0.38
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 8/20 0.35
CA12 O43570 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.31
USP2 O75604 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
SCHEMBL1118545 1.00 LPAR3 (0.42) LPAR3LPAR2CA2CA9ABCC4
SCHEMBL17728705 1.00 LPAR3 (0.42) LPAR3LPAR2CA2CA9ABCC4
SCHEMBL1118549 0.98 CA2 (0.39) LPAR3LPAR2CA2CA9ABCC4
SCHEMBL7315721 0.92 CA2 (0.41) LPAR3LPAR2CA2CA9ABCC4
SCHEMBL2939113 0.84 CA2 (0.54) CA2CA9CA1
SCHEMBL23291930 0.84 CA2 (0.46) CA2CA9CA1CA12CA3
SCHEMBL14779178 0.84 CA2 (0.46) CA2CA9CA1CA12CA3
SCHEMBL4952312 0.84 CA2 (0.46) CA2CA9CA1CA12CA3
SCHEMBL2735589 0.84 CA2 (0.46) CA2CA9CA1CA12CA3
SCHEMBL8398329 0.84 CA2 (0.46) CA2CA9CA1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2013-01-24 US disclosed
US-8173133-B2 Acyl pseudodipeptides which carry a functionalized auxiliary arm OM PHARMA (CH) 2012-05-08 US disclosed
US-7799762-B2 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2010-09-21 US disclosed
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2010-08-26 US disclosed
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA (CH) 2005-09-01 US disclosed
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2003-10-30 US disclosed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN 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 (4 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-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products PIGS, AADAT, CD74 LPAR3 840/4885LPAR2 796/4885CA2 3696/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 LPAR3 841/4885LPAR2 799/4885CA2 3169/4885
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 LPAR3 585/4885LPAR2 750/4885CA2 3578/4885
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, ENPEP, DNPEP LPAR3 570/4885LPAR2 675/4885CA2 3108/4885

“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.