SCHEMBL2261376

SCHEMBL2261376

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.42
▸ POLB P06746 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL2261001 0.91 POLB (0.52) POLBLMNAALDH1A1HPGDRAB9A
SCHEMBL2258277 0.86 GLA (0.48) TGFBR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL2255354 0.86 TRPV1 (0.46) TGFBR1LMNAALDH1A1RAB9APKM
SCHEMBL2256123 0.85 TRPV1 (0.44) TGFBR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL2259688 0.84 ADAM10 (0.43) TGFBR1POLBLMNAALDH1A1HPGD
SCHEMBL2257431 0.84 SMN1; SMN2 (0.55) TGFBR1ALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL2257541 0.84 TRPV1 (0.46) TGFBR1LMNAALDH1A1RAB9ANPC1
SCHEMBL2256183 0.84 HPGD (0.49) TGFBR1LMNAALDH1A1HPGDRAB9A
SCHEMBL2256572 0.83 ALDH1A1 (0.43) TGFBR1POLBLMNAALDH1A1HPGD
SCHEMBL2256384 0.83 TRPV1 (0.42) TGFBR1LMNAALDH1A1RAB9AMAPT

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 TGFBR1 481/4885POLB 4506/4885LMNA 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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