SCHEMBL2257484

SCHEMBL2257484

COc1ccc(OC)c(CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ P2RX7 Q99572 2/20 0.44
▸ ANO1 Q5XXA6 1/20 0.44
▸ ANO2 Q9NQ90 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2257966 0.93 ALDH1A1 (0.49) TP53P2RX7MAPTPOLBALDH1A1
SCHEMBL2255449 0.92 NPSR1 (0.51) P2RX7ANO1ANO2ALDH1A1NPC1
SCHEMBL2257491 0.87 POLB (0.47) TP53LMNAMAPTPOLBTGFBR1
SCHEMBL2255882 0.86 ALDH1A1 (0.53) LMNAMAPTPOLBALDH1A1NPC1
SCHEMBL2258999 0.86 POLB (0.52) P2RX7ANO1POLBALDH1A1TGFBR1
SCHEMBL2263175 0.85 ALDH1A1 (0.46) TP53LMNAALDH1A1TGFBR1NPSR1
SCHEMBL2258903 0.85 TRPV1 (0.47) P2RX7ANO1ANO2POLBTGFBR1
SCHEMBL2260447 0.84 RAB9A (0.54) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL2256831 0.84 TRPV1 (0.52) P2RX7TGFBR1TRPV1
SCHEMBL15706909 0.84 LMNA (0.42) LMNAALDH1A1TGFBR1TRPV1

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 RXFP1 16/4885TP53 4361/4885LMNA 2267/4885

“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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