SCHEMBL2257528

SCHEMBL2257528

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ TGFBR1 P36897 1/20 0.44
▸ P2RY1 P47900 2/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADORA1 P30542 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 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
SCHEMBL2255376 0.93 KMT2A (0.47) POLBKMT2ATGFBR1P2RY1RAB9A
SCHEMBL2260447 0.91 RAB9A (0.54) POLBKMT2ARAB9ANPC1MEN1
SCHEMBL2263610 0.91 POLB (0.50) POLBKMT2ATGFBR1P2RY1RAB9A
SCHEMBL2257170 0.91 MAPT (0.44) POLBTGFBR1P2RY1RAB9ANPC1
SCHEMBL2257274 0.90 ALDH1A1 (0.45) POLBKMT2ATGFBR1P2RY1TP53
SCHEMBL2259720 0.90 TGFBR1 (0.45) POLBTGFBR1P2RY1MAPTALDH1A1
SCHEMBL2261955 0.90 TGFBR1 (0.42) POLBKMT2ATGFBR1P2RY1RAB9A
SCHEMBL2255882 0.90 ALDH1A1 (0.53) POLBKMT2ARAB9ANPC1MAPT
SCHEMBL14177233 0.90 KMT2A (0.47) POLBKMT2ATGFBR1P2RY1RAB9A
SCHEMBL2257835 0.87 KMT2A (0.49) POLBKMT2ATGFBR1P2RY1RAB9A

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 8 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
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — WO 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 4506/4885KMT2A 3296/4885TGFBR1 481/4885

“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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