SCHEMBL2259382

SCHEMBL2259382

COc1ccccc1OCCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PTBP1 P26599 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.40

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
SCHEMBL2256183 0.93 HPGD (0.49) HPGDTSHRLMNASMN1; SMN2L3MBTL1
SCHEMBL2263175 0.89 ALDH1A1 (0.46) HPGDLMNAMTNR1AMTNR1BALDH1A1
SCHEMBL15706909 0.87 LMNA (0.42) HPGDLMNAALDH1A1TGFBR1
SCHEMBL2255449 0.87 NPSR1 (0.51) ALDH1A1
SCHEMBL2258106 0.87 TGFBR1 (0.42) HPGDTSHRLMNASMN1; SMN2L3MBTL1
SCHEMBL2257491 0.85 POLB (0.47) POLBHPGDLMNASMN1; SMN2TGFBR1
SCHEMBL2256786 0.83 ALDH1A1 (0.52) POLBTSHRSMN1; SMN2ALDH1A1TGFBR1
SCHEMBL2258069 0.83 CA1 (0.47) POLBL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL2257484 0.83 RXFP1 (0.46) POLBHSD17B10LMNAALDH1A1TGFBR1
SCHEMBL2257966 0.83 ALDH1A1 (0.49) POLBALDH1A1TGFBR1GAAMAPT

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 POLB 4506/4885HPGD 866/4885TSHR 519/4885

“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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