SCHEMBL2256384

SCHEMBL2256384

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ RXRA P19793 3/20 0.38
▸ NR1H2 P55055 3/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ MAPT P10636 1/20 0.36

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) TRPV1TGFBR1RXRANR1H2NR1H3
SCHEMBL2256515 0.91 TRPV1 (0.47) TRPV1TGFBR1RXRANR1H2NR1H3
SCHEMBL2257541 0.90 TRPV1 (0.46) TRPV1TGFBR1LMNAALDH1A1RAB9A
SCHEMBL2255860 0.89 TGFBR1 (0.42) TRPV1TGFBR1RXRANR1H2NR1H3
SCHEMBL2263175 0.88 ALDH1A1 (0.46) TGFBR1LMNAALDH1A1TP53
SCHEMBL2256142 0.88 ALDH1A1 (0.42) TRPV1TGFBR1LMNAALDH1A1MAPK1
SCHEMBL2256282 0.88 LMNA (0.49) TRPV1TGFBR1LMNAALDH1A1RAB9A
SCHEMBL2258277 0.87 GLA (0.48) TRPV1TGFBR1LMNAALDH1A1HTT
SCHEMBL2256123 0.85 TRPV1 (0.44) TRPV1TGFBR1LMNAALDH1A1HTT
SCHEMBL2260391 0.85 TGFBR1 (0.43) TRPV1TGFBR1RXRANR1H2NR1H3

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 6 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

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 TRPV1 1100/4885TGFBR1 481/4885RXRA 8/4885

“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.

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