SCHEMBL2255354

SCHEMBL2255354

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.46
▸ TGFBR1 P36897 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RXRA P19793 2/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PTPN13 Q12923 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2257541 0.94 TRPV1 (0.46) TRPV1TGFBR1P2RX7ALDH1A1LMNA
SCHEMBL2256282 0.93 LMNA (0.49) TRPV1TGFBR1TP53ALDH1A1LMNA
SCHEMBL2255860 0.93 TGFBR1 (0.42) TRPV1TGFBR1TP53P2RX7RXFP1
SCHEMBL2256384 0.93 TRPV1 (0.42) TRPV1TGFBR1TP53P2RX7RXRA
SCHEMBL2263175 0.91 ALDH1A1 (0.46) TGFBR1TP53ALDH1A1LMNA
SCHEMBL2258277 0.90 GLA (0.48) TRPV1TGFBR1TP53ALDH1A1LMNA
SCHEMBL2256123 0.89 TRPV1 (0.44) TRPV1TGFBR1ALDH1A1LMNAHTT
SCHEMBL2259409 0.89 TGFBR1 (0.41) TRPV1TGFBR1TP53P2RX7RXRA
SCHEMBL2260391 0.89 TGFBR1 (0.43) TRPV1TGFBR1TP53P2RX7RXRA
SCHEMBL2257431 0.88 SMN1; SMN2 (0.55) TRPV1TGFBR1ALDH1A1PKMHTT

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 7 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

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 481/4885TP53 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