SCHEMBL15420480

SCHEMBL15420480

O=C(O)N[C@H]1COCC[C@@H]1COc1ccc(-c2ccc(F)cn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.40
DGAT1 O75907 1/20 0.38
GRM5 P41594 1/20 0.38
GRM4 Q14833 2/20 0.37
GRIA2 P42262 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL15420641 0.85 GRIA2 (0.44) FFAR4GRM5GRM4GRIA2AXL
SCHEMBL15420755 0.84 GRIA2 (0.43) FFAR4GRM5GRM4GRIA2AXL
SCHEMBL15420427 0.84 GRIA2 (0.41) FFAR4GRM5GRM4GRIA2AXL
SCHEMBL15420619 0.84 FFAR4 (0.41) FFAR4DGAT1GRM4
SCHEMBL15420322 0.79 GRM5 (0.41) DGAT1GRM5GRM4GRIA2HDAC1
SCHEMBL15420397 0.79 GRIA2 (0.42) FFAR4DGAT1GRM5GRIA2AXL
SCHEMBL12986813 0.79 GRIA2 (0.42) FFAR4DGAT1GRM5GRIA2AXL
SCHEMBL15420028 0.79 GRIA2 (0.42) FFAR4DGAT1GRM5GRIA2AXL
SCHEMBL12987995 0.79 GRIA2 (0.42) FFAR4DGAT1GRM5GRIA2AXL
SCHEMBL12986811 0.79 GRIA2 (0.42) FFAR4DGAT1GRM5GRIA2AXL

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
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 FFAR4 277/4885DGAT1 2937/4885GRM5 9/4885

“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.