SCHEMBL7514709

SCHEMBL7514709

Cc1cc(C)c(C(=S)c2ccc(Nc3cccc4ccn(C)c34)cc2Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.40
MAPK13 O15264 12/20 0.40
MAPK12 P53778 12/20 0.40
MAPK11 Q15759 12/20 0.40
MAP2K2 P36507 2/20 0.34
MAP2K1 Q02750 2/20 0.34
CCR5 P51681 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
ERBB3 P21860 1/20 0.31
ERBB4 Q15303 1/20 0.31

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
SCHEMBL7518633 0.91 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7513578 0.90 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7516097 0.90 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7509072 0.88 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7519335 0.86 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7518332 0.80 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL7510773 0.79 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7520494 0.79 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL7513452 0.78 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7514848 0.78 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 MAPK14 625/4885MAPK13 1908/4885MAPK12 1184/4885

“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.