SCHEMBL3202731

SCHEMBL3202731

COC(=O)N(c1cccc(-c2ccc(C(=O)O)cc2)c1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.45
▸ RXRA P19793 5/20 0.41
▸ RXRB P28702 4/20 0.41
▸ RXRG P48443 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ ACLY P53396 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ EDNRB P24530 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 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
SCHEMBL6938982 0.87 MAPT (0.39) KMO
SCHEMBL2490239 0.85 GAA (0.41) EGFRRXRARXRBRXRG
SCHEMBL2648376 0.71 GAA (0.46) EGFRPDE4A
SCHEMBL7432374 0.70 ENPP2 (0.43) RXRARXRB
SCHEMBL71708 0.70 RXRA (0.57) EGFRRXRARXRBRXRGBCL2
SCHEMBL31090439 0.70 BCL2 (0.57) EGFRRXRARXRBRXRGBCL2
SCHEMBL2346605 0.68 KMO (0.76) EGFRRXRARXRBRXRGBCL2
SCHEMBL29906143 0.68 KMO (0.76) EGFRRXRARXRBRXRGBCL2
SCHEMBL1921441 0.68 SELL (0.43) PTGES
SCHEMBL21760464 0.67 KMO (0.55) EGFRRXRARXRBRXRGBCL2

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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 — — US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 — — EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 — — 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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS EGFR 1393/4885RXRA 95/4885RXRB 207/4885

“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.

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