SCHEMBL2261968

SCHEMBL2261968

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.48
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
TRPV1 Q8NER1 6/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
TGFBR1 P36897 1/20 0.41
PTGER4 P35408 2/20 0.41
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 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
SCHEMBL12361543 0.93 RAB9A (0.51) RAB9APOLBTSHRTRPV1HPGD
SCHEMBL2257718 0.92 TRPV1 (0.49) RAB9APOLBTSHRTRPV1ALDH1A1
SCHEMBL2256361 0.91 IDH1 (0.47) LPAR5RAB9APOLBTSHRTRPV1
SCHEMBL2261075 0.91 TRPV1 (0.46) RAB9ATRPV1ALDH1A1NPSR1KDM4E
SCHEMBL12361544 0.90 TGFBR1 (0.44) RAB9APOLBTSHRTRPV1ALDH1A1
SCHEMBL2262135 0.90 HCRTR1 (0.49) LPAR5RAB9APOLBTSHRTRPV1
SCHEMBL2260836 0.90 TAOK1 (0.43) RAB9APOLBTSHRTRPV1ALDH1A1
SCHEMBL2257650 0.89 NPSR1 (0.55) RAB9APOLBTSHRTRPV1ALDH1A1
SCHEMBL2259751 0.88 MEN1 (0.51) RAB9APOLBTSHRTRPV1ALDH1A1
SCHEMBL2257546 0.88 TRPV1 (0.42) LPAR5RAB9APOLBTSHRTRPV1

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 LPAR5 70/4885RAB9A 1352/4885POLB 4506/4885

“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.