SCHEMBL2256201

SCHEMBL2256201

CCOC(=O)C1CCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PTGS1 P23219 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 2/20 0.45
GLA P06280 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL12361719 0.90 ALDH1A1 (0.44) TSHRGAAKDM4EALDH1A1MEN1
SCHEMBL2260709 0.89 TSHR (0.54) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL2256006 0.89 CNR1 (0.58) TSHRGAACYP2C19ALDH1A1MEN1
SCHEMBL3473217 0.86 TSHR (0.54) TSHRGAAKDM4ECYP2C19KMT2A
SCHEMBL2261010 0.85 HSD11B1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL15706924 0.84 ABL1 (0.44) MEN1KMT2ACNR1CNR2
SCHEMBL2257039 0.84 TRPV1 (0.42) MEN1KMT2ACNR1
SCHEMBL12361716 0.84 MEN1 (0.46) TSHRGAAKDM4EALDH1A1MEN1
SCHEMBL2257208 0.81 PDE4B (0.56) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2261296 0.81 RXRA (0.46) TSHRCNR1CNR2

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
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 TSHR 519/4885GAA 3209/4885KDM4E 2153/4885

“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.