SCHEMBL2259510

SCHEMBL2259510

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(CCS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.42
▸ NR1H2 P55055 3/20 0.42
▸ NR1H3 Q13133 3/20 0.42
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ RPTOR Q8N122 1/20 0.38
▸ MLST8 Q9BVC4 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL2260490 0.87 DRD2 (0.44) RXRANR1H2NR1H3DRD2DRD3
SCHEMBL2255840 0.86 DRD2 (0.44) RXRANR1H2NR1H3DRD2DRD3
SCHEMBL2258978 0.83 DRD2 (0.44) RXRANR1H2NR1H3DRD2DRD3
SCHEMBL2261296 0.82 RXRA (0.46) RXRANR1H2NR1H3
SCHEMBL2257730 0.81 THRB (0.59) DRD2DRD3HTR2A
SCHEMBL2260917 0.80 IRAK4 (0.44) DRD2DRD3MAPTKMT2AMEN1
SCHEMBL2258635 0.80 ALDH1A1 (0.47) HTR7
SCHEMBL2257006 0.80 KCNA5 (0.42) DRD2DRD3MAPTHTR2A
SCHEMBL2257175 0.79 KMT2A (0.52) RXRANR1H2NR1H3KMT2AMEN1
SCHEMBL2258997 0.79 ALDH1A1 (0.48) MAPTKMT2AMEN1

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 7 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-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US 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
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — 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 RXRA 8/4885NR1H2 2/4885NR1H3 1/4885

“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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