SCHEMBL5261185

SCHEMBL5261185

Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ HSD11B1 P28845 3/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL4616939 0.84 HTR6 (0.56) FFAR4HSD11B1SLC40A1GAAALDH1A1
SCHEMBL9818407 0.82 GAA (0.56) GAACA1CA2CA5ACA9
SCHEMBL10228575 0.78 GAA (0.67) BCHEACHEFFAR4FFAR1CDK1
SCHEMBL5434375 0.78 MCL1 (0.50) HSD11B1SLC40A1GAAALDH1A1KDM4E
SCHEMBL9722812 0.78 CA2 (0.57) GAACA1CA2CA5ACA9
SCHEMBL19019674 0.77 ALDH1A1 (0.51) SLC40A1GAACA1CA2CA5A
SCHEMBL9299326 0.76 ALDH1A1 (0.51) GAACA1CA2CA5ACA9
SCHEMBL3278551 0.76 POLB (0.51) BCHEACHEHSD11B1GAAALDH1A1
SCHEMBL8143772 0.76 HTR6 (0.52) ACHEGAAALDH1A1KDM4EMEN1
SCHEMBL10384844 0.75 ALDH1A1 (0.45) HSD11B1SLC40A1GAACA1CA2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 — — CN disclosed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 — — US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 — — EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 — — US disclosed
CN-1531425-A Urea derivatives as integrin alpha 4 antagonists ������ҩ�����޹�˾ 2004-09-22 — — CN disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 — — US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 — — EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 — — WO disclosed
US-4997921-A Substituted phenylazosulfoindole dyes CIBA-GEIGY CORPORATION (US) 1991-03-05 — — US disclosed
US-4954563-A Polyamide dye CIBA-GEIGY CORPORATION (US) 1990-09-04 — — 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 BCHE 2973/4885ACHE 1113/4885FFAR4 348/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 BCHE 2892/4885ACHE 1401/4885FFAR4 163/4885

“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.

Send feedback