SCHEMBL2257491

SCHEMBL2257491

COc1ccc(CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ ATM Q13315 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ USP2 O75604 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ TGFBR1 P36897 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ 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
SCHEMBL2258999 0.89 POLB (0.52) POLBKMT2AHPGDSMN1; SMN2TGFBR1
SCHEMBL2255449 0.88 NPSR1 (0.51) KDM4ENPSR1
SCHEMBL2262135 0.88 HCRTR1 (0.49) POLBMAPTHPGDLMNATGFBR1
SCHEMBL2257718 0.87 TRPV1 (0.49) POLBGLAHPGDLMNAKDM4E
SCHEMBL12361543 0.87 RAB9A (0.51) POLBKMT2AHPGDLMNAGAA
SCHEMBL2257484 0.87 RXFP1 (0.46) POLBMAPTLMNATGFBR1TP53
SCHEMBL2256361 0.87 IDH1 (0.47) POLBHPGDLMNATGFBR1NPSR1
SCHEMBL2261075 0.87 TRPV1 (0.46) KDM4ENPSR1
SCHEMBL2257644 0.86 POLB (0.45) POLBTGFBR1
SCHEMBL2260836 0.86 TAOK1 (0.43) POLBMAPTHPGDTGFBR1NPSR1

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 4506/4885ATM 3712/4885MAPT 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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