SCHEMBL2260836

SCHEMBL2260836

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAOK1 Q7L7X3 1/20 0.43
▸ TAOK3 Q9H2K8 1/20 0.43
▸ TRPV1 Q8NER1 8/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ SGMS1 Q86VZ5 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
SCHEMBL2257718 0.93 TRPV1 (0.49) TRPV1RAB9ACNR1NPSR1POLB
SCHEMBL12361543 0.92 RAB9A (0.51) TRPV1RAB9ANPSR1POLBTSHR
SCHEMBL2256361 0.92 IDH1 (0.47) TRPV1RAB9ANPSR1POLBTSHR
SCHEMBL2261075 0.92 TRPV1 (0.46) TRPV1RAB9ANPSR1ALDH1A1
SCHEMBL2256142 0.91 ALDH1A1 (0.42) TRPV1POLBTGFBR1MAPTALDH1A1
SCHEMBL2262135 0.91 HCRTR1 (0.49) TRPV1RAB9ANPSR1POLBTSHR
SCHEMBL2261968 0.90 LPAR5 (0.48) TRPV1RAB9ANPSR1POLBTSHR
SCHEMBL2257650 0.90 NPSR1 (0.55) TRPV1RAB9ANPSR1POLBTSHR
SCHEMBL2259751 0.89 MEN1 (0.51) TRPV1RAB9ANPSR1POLBTSHR
SCHEMBL12361544 0.89 TGFBR1 (0.44) TRPV1RAB9ANPSR1POLBTSHR

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 TAOK1 2635/4885TAOK3 2622/4885TRPV1 1100/4885

“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.

Send feedback