SCHEMBL3147764

SCHEMBL3147764

Cc1ccc(S(=O)(=O)NC[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
GBA1 P04062 1/20 0.55
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.54
FFAR4 Q5NUL3 2/20 0.51
FFAR1 O14842 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
CCNA1 P78396 1/20 0.51
GRIA4 P48058 1/20 0.45
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
MMP9 P14780 1/20 0.44
CYP19A1 P11511 2/20 0.44
MEN1 O00255 1/20 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
SCHEMBL2484826 0.80 GRIA4 (0.56) CA1CA2ALDH1A1GRIA4
SCHEMBL3142706 0.79 CA1 (0.43) CA1CA2ALDH1A1GRIA4MMP7
SCHEMBL15621568 0.75 CA1 (0.79) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL30800478 0.75 CA2 (0.75) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL7862567 0.74 GBA1 (0.74) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL30800477 0.74 CA1 (1.00) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL29543465 0.73 GBA1 (0.72) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL17206014 0.73 GBA1 (0.67) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL23165092 0.73 GBA1 (0.58) CA1CA2GBA1ALDH1A1TSHR
SCHEMBL6324136 0.73 CA1 (0.75) CA1CA2GBA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294630-B2 Piperazinyl piperidine tachykinin antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US claimed
US-20060142302-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-29 US claimed
EP-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 EP disclosed
US-20100081667-A1 Chemical Compounds ALVARO GIUSEPPE 2010-04-01 US disclosed
US-7648990-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2010-01-19 US disclosed
EP-1921064-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2008-05-14 EP disclosed
US-20080021041-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-7294630-B2 Piperazinyl piperidine tachykinin antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
EP-1524266-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2007-02-28 EP disclosed
EP-1752449-A1 Pharmaceutical coposition GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
US-7119092-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-10 US disclosed
US-20060142302-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-29 US disclosed
US-7060702-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-06-13 US disclosed
US-20050137208-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2005-06-23 US disclosed
EP-1524266-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2005-04-20 EP disclosed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 EP disclosed
US-20040014770-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-01-22 US disclosed
EP-1326832-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-07-16 EP disclosed
WO-2002032867-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-04-25 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 (5 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-20080021041-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 CA1 139/4885CA2 369/4885GBA1 3032/4885
US-20050137208-A1 Chemical compounds TACR2, TAC3, MC2R CA1 450/4885CA2 172/4885GBA1 2995/4885
US-20040014770-A1 Chemical compounds HCK, KCNK4, GRK4 CA1 956/4885CA2 533/4885GBA1 2575/4885
US-20060142302-A1 Chemical compounds TACR2, TAC3, MC2R CA1 450/4885CA2 172/4885GBA1 2995/4885
US-20100081667-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 CA1 139/4885CA2 369/4885GBA1 3032/4885

“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.