SCHEMBL2255860

SCHEMBL2255860

Cc1ccccc1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.42
▸ TRPV1 Q8NER1 3/20 0.42
▸ TP53 P04637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ RXRA P19793 2/20 0.38
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ P2RY1 P47900 1/20 0.37

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
SCHEMBL2255354 0.93 TRPV1 (0.46) TGFBR1TRPV1TP53RXFP1P2RX7
SCHEMBL2259409 0.92 TGFBR1 (0.41) TGFBR1TRPV1TP53P2RX7RXRA
SCHEMBL2260391 0.92 TGFBR1 (0.43) TGFBR1TRPV1TP53P2RX7RXRA
SCHEMBL2258903 0.91 TRPV1 (0.47) TGFBR1TRPV1MAPK14P2RX7
SCHEMBL2257541 0.90 TRPV1 (0.46) TGFBR1TRPV1P2RX7ALDH1A1LMNA
SCHEMBL2263175 0.90 ALDH1A1 (0.46) TGFBR1TP53SLC2A1ALDH1A1LMNA
SCHEMBL2256384 0.89 TRPV1 (0.42) TGFBR1TRPV1TP53P2RX7RXRA
SCHEMBL2256282 0.88 LMNA (0.49) TGFBR1TRPV1TP53ALDH1A1MAPT
SCHEMBL2256572 0.88 ALDH1A1 (0.43) TGFBR1ALDH1A1MAPTLMNA
SCHEMBL2258277 0.87 GLA (0.48) TGFBR1TRPV1TP53ALDH1A1MAPT

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 TGFBR1 481/4885TRPV1 1100/4885TP53 4361/4885

“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