SCHEMBL3302246

SCHEMBL3302246

COc1ccc(CCNC(=O)N(S)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PTGER1 P34995 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL7783082 0.81 CA12 (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3297438 0.81 CNR1 (0.53) SMN1; SMN2MAPTGAA
SCHEMBL3300429 0.80 TACR1 (0.52) CA12CA2CA9MAPT
SCHEMBL6815481 0.80 GAA (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5899116 0.80 CA1 (0.61) CA12CA1CA2CA9KDM4E
SCHEMBL3305183 0.78 CNR1 (0.49) SMN1; SMN2ALDH1A1KMT2AGAAHTT
SCHEMBL2474840 0.75 KMT2A (0.74) CA12CA1CA2CA9PTGER1
SCHEMBL9781763 0.75 CA12 (0.66) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1968355 0.75 CA12 (0.66) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3302245 0.74 MAPT (0.66) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2010-04-15 US claimed
EP-2074085-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS Lica Pharmaceuticals A/S (DK) 2009-07-01 EP claimed
WO-2008043840-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2008-04-17 WO claimed
US-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2010-04-15 US disclosed
EP-2074085-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS Lica Pharmaceuticals A/S (DK) 2009-07-01 EP disclosed
WO-2008043840-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2008-04-17 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-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS TST, TPX2, TPMT CA12 2532/4885CA1 4365/4885CA2 710/4885

“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.