SCHEMBL2254827

SCHEMBL2254827

COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.59
▸ TP53 P04637 5/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ POLB P06746 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ P2RY14 Q15391 1/20 0.46
▸ TACR1 P25103 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL2260465 0.87 KMT2A (0.50) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2260468 0.87 KMT2A (0.50) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2259904 0.85 MAPT (0.45) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2260769 0.85 ALDH1A1 (0.49) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL2257818 0.84 TGFBR1 (0.39) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2261195 0.84 POLB (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2261193 0.84 POLB (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2263324 0.83 MAPT (0.50) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2257825 0.83 CCR2 (0.47) MAPTTP53SMN1; SMN2
SCHEMBL2258036 0.83 TACR1 (0.39) MAPTTP53SMN1; SMN2LMNATHRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4713/4885TP53 4361/4885SMN1; SMN2 4725/4885

“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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