SCHEMBL13894

SCHEMBL13894

C=C1OB(c2ccc(C3(C(=O)NS(C)(=O)=O)CC3)cc2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.34
LPAR3 Q9UBY5 2/20 0.34
MLYCD O95822 1/20 0.33
TET3 O43151 1/20 0.31
KMT2A Q03164 1/20 0.31
FBXL19 Q6PCT2 1/20 0.31
CXXC5 Q7LFL8 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
CXXC4 Q9H2H0 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL5091 0.84 CA1 (0.45) LPAR1LPAR3CA1CA2CA9
SCHEMBL13574619 0.75 CA1 (0.48) CA1CA2CA9CA12CA3
SCHEMBL13474635 0.73 LPL (0.38) CA1CA2CA9CA12CA3
SCHEMBL14267971 0.73 PTGS2 (0.35) CA1CA2CA9CA12CA3
SCHEMBL2084 0.71 HDAC1 (0.45) LPAR1LPAR3MLYCDKDM4EGAA
SCHEMBL10282788 0.70 LPL (0.40) CA1CA2CA9CA12CA3
SCHEMBL13622824 0.70 SMN1; SMN2 (0.42) KMT2ACA1CA2CA9CA12
SCHEMBL12512630 0.69 LPL (0.33)
SCHEMBL3678803 0.69 LPAR1 (0.53) LPAR1LPAR3MLYCDTET3KMT2A
SCHEMBL23235351 0.69 AKR1C3 (0.33) LPAR1LPAR3MLYCDCA1CA2

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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
WO-2012138797-A1 3- OR 5 - BI PHENYL - 4 - YLISOXAZOLE - BASED COMPOUNDS USEFUL FOR THE TREATMENT OF FIBROSIS, PAIN, CANCER AND RESPIRATORY, ALLERGIC, NERVOUS SYSTEM OR CARDIOVASCULAR DISORDERS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (1 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885MLYCD 3165/4885

“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.