SCHEMBL2258069

SCHEMBL2258069

COc1cccc(CCNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ POLB P06746 3/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL2256786 0.92 ALDH1A1 (0.52) POLBPTPN1MEN1KMT2AALDH1A1
SCHEMBL2258999 0.91 POLB (0.52) POLBMEN1KMT2AALDH1A1TGFBR1
SCHEMBL2260888 0.91 SMN1; SMN2 (0.46) POLBMEN1KMT2AALDH1A1CNR1
SCHEMBL2258277 0.90 GLA (0.48) ALDH1A1CNR1TGFBR1GLAKDM4E
SCHEMBL2256572 0.87 ALDH1A1 (0.43) POLBPTPN1MEN1KMT2AALDH1A1
SCHEMBL2256123 0.87 TRPV1 (0.44) ALDH1A1CNR1TGFBR1GLAKDM4E
SCHEMBL2263175 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TGFBR1MTNR1A
SCHEMBL2256701 0.85 CARM1 (0.53) CA1CA2POLBALDH1A1CNR1
SCHEMBL2256142 0.85 ALDH1A1 (0.42) POLBPTPN1MEN1KMT2AALDH1A1
SCHEMBL2255354 0.85 TRPV1 (0.46) PTPN1ALDH1A1TGFBR1HTT

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 CA1 4344/4885CA2 4433/4885POLB 4506/4885

“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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