Sugi Predict

Sugi Predict / Compounds / SCHEMBL9923778

SCHEMBL9923778

SCHEMBL9923778

Cc1ccc(Oc2ccc(NC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ PDK1 Q15118 2/20 0.56
▸ PDK2 Q15119 2/20 0.56
▸ PDK3 Q15120 2/20 0.56
▸ PDK4 Q16654 2/20 0.56
▸ PNLIP P16233 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 2/20 0.50

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
SCHEMBL5546929 0.89 HDAC1 (0.67) HDAC1HDAC7HDAC8NPC1RAB9A
SCHEMBL17272756 0.85 PDK1 (0.70) HDAC1HDAC7HDAC8PDK1PDK2
SCHEMBL17285725 0.83 EPHX2 (0.56) PDK1PDK2PDK3PDK4MAPT
SCHEMBL5546903 0.81 PDK1 (0.71) PDK1PDK2PDK3PDK4NPC1
SCHEMBL17285723 0.80 EPHX2 (0.52) PDK1PDK2PDK3PDK4LMNA
SCHEMBL5612841 0.79 TDP1 (0.77) PNLIPNPC1RAB9AALDH1A1LMNA
SCHEMBL13750226 0.77 KIF11 (0.70) PNLIPNPC1RAB9AALDH1A1LMNA
SCHEMBL23966408 0.77 FNTA (0.50) PDK1PDK2PDK3PDK4PNLIP
SCHEMBL13923522 0.77 MMP13 (0.49) PDK1PDK2PDK3PDK4PNLIP
SCHEMBL17281686 0.77 L3MBTL1 (0.54) HDAC1HDAC7HDAC8PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 — — 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 (3 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 HDAC1 341/4885HDAC7 286/4885HDAC8 417/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 HDAC1 341/4885HDAC7 286/4885HDAC8 417/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF HDAC1 963/4885HDAC7 912/4885HDAC8 787/4885

“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.