SCHEMBL2260709

SCHEMBL2260709

CCOC(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2256201 0.89 TSHR (0.52) TSHRKMT2AMEN1ALDH1A1NPC1
SCHEMBL15706925 0.86 NOTUM (0.45) KMT2AMEN1ALDH1A1RAB9AMAPK1
SCHEMBL2256006 0.84 CNR1 (0.58) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL12361716 0.83 MEN1 (0.46) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL2256584 0.80 GAA (0.43) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL2255847 0.80 KLK7 (0.47) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL12361719 0.79 ALDH1A1 (0.44) TSHRKMT2AMEN1ALDH1A1NPC1
SCHEMBL2261010 0.79 HSD11B1 (0.44) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL2257208 0.78 PDE4B (0.56) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL2259576 0.78 CCR2 (0.48)

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 TSHR 519/4885KMT2A 3296/4885MEN1 3422/4885

“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.