SCHEMBL3142706

SCHEMBL3142706

C[C@@H](CNS(=O)(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GRIA4 P48058 4/20 0.41
ACP1 P24666 2/20 0.41
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN13 Q12923 1/20 0.38
SSU72 Q9NP77 1/20 0.38
TACR1 P25103 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.35
MMP7 P09237 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP10 P09238 1/20 0.35
MMP9 P14780 1/20 0.35
GAA P10253 1/20 0.34
GRIA2 P42262 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34

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 0.86 GRIA4 (0.56) CA1CA2GRIA4ACP1TACR1
SCHEMBL3147764 0.79 CA1 (0.58) CA1CA2GRIA4ALDH1A1MMP7
SCHEMBL5222475 0.76 TAAR1 (0.46) CA1CA2TACR1ALDH1A1MAPT
SCHEMBL4478694 0.76 TACR1 (0.44) TACR1ALDH1A1MAPTCES2
SCHEMBL4478411 0.76 TACR1 (0.44) TACR1ALDH1A1MAPTCES2
SCHEMBL5412263 0.75 TACR1 (0.43) TACR1ALDH1A1MAPTCES2
SCHEMBL2802418 0.75 TACR1 (0.43) TACR1ALDH1A1MAPTCES2
SCHEMBL5395813 0.75 TACR1 (0.43) TACR1ALDH1A1MAPTCES2
SCHEMBL2181410 0.75 TACR1 (0.43) TACR1ALDH1A1MAPTCES2
SCHEMBL20530516 0.72 MAPT (0.41) CA1CA2ACP1PTPN7PTPN12

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 369/4885GRIA4 485/4885
US-20050137208-A1 Chemical compounds TACR2, TAC3, MC2R CA1 450/4885CA2 172/4885GRIA4 526/4885
US-20040014770-A1 Chemical compounds HCK, KCNK4, GRK4 CA1 956/4885CA2 533/4885GRIA4 652/4885
US-20060142302-A1 Chemical compounds TACR2, TAC3, MC2R CA1 450/4885CA2 172/4885GRIA4 526/4885
US-20100081667-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 CA1 139/4885CA2 369/4885GRIA4 485/4885

“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.