SCHEMBL2260769

SCHEMBL2260769

COC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CNR1 P21554 1/20 0.47
▸ NOS2 P35228 3/20 0.43
▸ NOS3 P29474 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ PYGL P06737 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ ATM Q13315 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
SCHEMBL2255564 0.94 MDM4 (0.46) ALDH1A1MEN1LMNAKMT2ACNR1
SCHEMBL2258113 0.94 MDM4 (0.46) ALDH1A1MEN1LMNAKMT2ACNR1
SCHEMBL14177251 0.92 GPR34 (0.45) CNR1TGFBR1CASP3CTSL
SCHEMBL12361623 0.88 TGFBR1 (0.43) ALDH1A1MEN1LMNAKMT2ATGFBR1
SCHEMBL2257689 0.87 GPR34 (0.45) CNR1TGFBR1CASP3PYGL
SCHEMBL2257818 0.87 TGFBR1 (0.39) ALDH1A1MEN1LMNAKMT2ACNR1
SCHEMBL2257825 0.86 CCR2 (0.47) TGFBR1
SCHEMBL2256853 0.85 MMP7 (0.44) ALDH1A1TGFBR1CASP3
SCHEMBL2254827 0.85 MAPT (0.59) ALDH1A1MEN1LMNAKMT2ACYP3A4
SCHEMBL2259327 0.84 HCRTR1 (0.47) ALDH1A1MEN1LMNAKMT2ATGFBR1

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 ALDH1A1 3692/4885MEN1 3422/4885LMNA 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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