SCHEMBL7030779

SCHEMBL7030779

Cc1cc(C)c(C(=S)c2ccc(Nc3cncc4ccccc34)cc2Cl)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
MAPK14 Q16539 10/20 0.41
MAPK13 O15264 9/20 0.41
MAPK12 P53778 9/20 0.41
MAPK11 Q15759 9/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MALT1 Q9UDY8 1/20 0.38
EGFR P00533 1/20 0.37
MAPT P10636 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
PTK6 Q13882 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7034065 0.90 MAPK14 (0.49) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7035323 0.90 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7033598 0.89 MAPK14 (0.48) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7039634 0.87 MAPK14 (0.54) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7040319 0.87 MAPT (0.42) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7037214 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7515617 0.84 TRPV1 (0.40) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7082009 0.80 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7036407 0.80 MAPK14 (0.67) ADRA2AADRA2BADRA2CADRA1AMAPK14
SCHEMBL7039905 0.79 ALDH1A1 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a) Leo Pharma A/S (DK) 2003-03-12 EP claimed
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US claimed
US-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-07 US claimed
WO-2001090074-A2 BENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-11-29 WO claimed
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a) Leo Pharma A/S (DK) 2003-03-12 EP disclosed
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US disclosed
US-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-07 US disclosed
WO-2001090074-A2 BENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-11-29 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-20020016347-A1 Benzophenones as inhibitors of IL-1beta and TNF-alpha IL1B, IL1A, NFKBIA ADRA2A 964/4885ADRA2B 310/4885ADRA2C 925/4885

“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.