SCHEMBL18549402

SCHEMBL18549402

CC(=O)c1nn(CC(=O)O)c2ccc(Oc3ncc(C)cn3)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFD P00746 17/20 0.39
MCL1 Q07820 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL18561480 0.87 CFD (0.39) CFD
SCHEMBL18549404 0.84 CFD (0.43) CFDMCL1PTGDR2
SCHEMBL18549387 0.83 CFD (0.41) CFD
SCHEMBL24920117 0.82 MCL1 (0.39) CFDMCL1LPAR1LPAR3
SCHEMBL18549439 0.81 CFD (0.38) CFDMCL1PTGDR2
SCHEMBL29545653 0.81 CFD (0.41) CFD
SCHEMBL18555210 0.81 CFD (0.41) CFD
SCHEMBL18549392 0.80 MCL1 (0.38) CFDMCL1LPAR1LPAR3PTGDR2
SCHEMBL15607641 0.79 CFD (0.42) CFD
SCHEMBL18549464 0.78 PLA2G4A (0.42)

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-10385097-B2 Ether compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-20 US disclosed
US-10385097-B2 Ether compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-20 US disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
WO-2017035355-A1 ETHER COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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-20170057993-A1 Ether Compounds for Treatment of Medical Disorders CFD, TFPI, F12 CFD 1/4885MCL1 1444/4885LPAR1 1707/4885
US-10385097-B2 Ether compounds for treatment of medical disorders CFD, TFPI, F12 CFD 1/4885MCL1 1444/4885LPAR1 1707/4885

“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.