SCHEMBL13239883

SCHEMBL13239883

COc1ccc(-n2nc(CCl)nc2-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
KDM4E B2RXH2 1/20 0.44
KDR P35968 2/20 0.44
TEK Q02763 1/20 0.44
DYRK3 O43781 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OXTR P30559 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AVPR2 P30518 2/20 0.35
AVPR1A P37288 2/20 0.35
NR3C1 P04150 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
SCHEMBL13239885 0.87 PTGS1 (0.45) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL13239849 0.78 PTGS2 (0.52) MALT1PTGS1PTGS2KDM4EKDR
SCHEMBL13239882 0.77 PTGS2 (0.45) MALT1PTGS1PTGS2SIGMAR1MDM2
SCHEMBL6132606 0.76 PTGS2 (0.57) PTGS1PTGS2OXTRMEN1KMT2A
SCHEMBL2949560 0.76 PPARD (0.61)
SCHEMBL6680327 0.75 PTGS1 (0.45) PTGS1PTGS2KDM4EKDRTEK
SCHEMBL6132303 0.74 PTGS2 (0.81) MALT1PTGS1PTGS2OXTRAVPR2
SCHEMBL10974166 0.73 PTGS2 (0.64) MALT1PTGS1PTGS2
SCHEMBL6682869 0.73 PTGS1 (0.65) MALT1PTGS1PTGS2OXTRAVPR2
SCHEMBL13239884 0.73 PTGS1 (0.56) MALT1PTGS1PTGS2KDM4E

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-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 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-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARD, PPARA MALT1 4260/4885PTGS1 343/4885PTGS2 669/4885

“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.