SCHEMBL2261193

SCHEMBL2261193

Cc1cccc2c(CC(NC(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)C(=O)O)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.51
▸ TP53 P04637 4/20 0.51
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ITGB2 P05107 4/20 0.47
▸ ICAM1 P05362 4/20 0.47
▸ ITGAL P20701 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ P2RY14 Q15391 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ TNF P01375 1/20 0.39

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
SCHEMBL2261195 1.00 POLB (0.51) POLBTP53MAPTMEN1KMT2A
SCHEMBL2260465 0.85 KMT2A (0.50) POLBTP53MAPTMEN1KMT2A
SCHEMBL2260468 0.85 KMT2A (0.50) POLBTP53MAPTMEN1KMT2A
SCHEMBL2254827 0.84 MAPT (0.59) POLBTP53MAPTMEN1KMT2A
SCHEMBL2256252 0.83 ADAM17 (0.41) POLBTP53MAPTMEN1KMT2A
SCHEMBL2256253 0.83 ADAM17 (0.41) POLBTP53MAPTMEN1KMT2A
SCHEMBL14177251 0.82 GPR34 (0.45) ACE
SCHEMBL14176937 0.81 TGFBR1 (0.40) —
SCHEMBL2257689 0.80 GPR34 (0.45) MRGPRX4ACE
SCHEMBL2257686 0.78 CA2 (0.43) MRGPRX4

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
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — 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 (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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 POLB 4506/4885TP53 4361/4885MAPT 4713/4885

“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.

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