SCHEMBL3418361

SCHEMBL3418361

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.49
PTPN11 Q06124 1/20 0.46
GAA P10253 3/20 0.45
FABP4 P15090 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ACLY P53396 2/20 0.42
RXRA P19793 4/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5267987 0.85 GAA (0.56) CA5APTPN11GAAFABP4NR1H4
SCHEMBL3414264 0.83 RXRA (0.49) PTPN11GAANR1H4GRIN2DGRIN3B
SCHEMBL2731144 0.81 CA5A (0.72) CA5AGAARXRARXRBRXRG
SCHEMBL3413422 0.78 SMPD1 (0.57) PTPN11NR1H4FFAR1PPARDHPGD
SCHEMBL3410515 0.77 GAA (0.70) CA5APTPN11GAAFABP4NR1H4
SCHEMBL5738807 0.77 CA5A (0.51) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL23296176 0.76 GAA (0.52) CA5APTPN11GAAFABP4NR1H4
SCHEMBL13461090 0.76 SYK (0.47) ACLYRXRANFKB1FFAR1PPARD
SCHEMBL4465269 0.76 PTGDR2 (0.48) CA5AFFAR1PPARDPTGDR2
SCHEMBL3419229 0.75 PTPN11 (0.49) CA5APTPN11GAANR1H4GRIN2D

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR CA5A 976/4885PTPN11 838/4885GAA 1991/4885

“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.