SCHEMBL2257541

SCHEMBL2257541

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.46
▸ TGFBR1 P36897 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ PTPN13 Q12923 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 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 0.94 TRPV1 (0.46) TRPV1TGFBR1ALDH1A1LMNAGAA
SCHEMBL2256831 0.91 TRPV1 (0.52) TRPV1TGFBR1CNR1P2RX7
SCHEMBL2255860 0.90 TGFBR1 (0.42) TRPV1TGFBR1ALDH1A1LMNAP2RX7
SCHEMBL2256384 0.90 TRPV1 (0.42) TRPV1TGFBR1ALDH1A1LMNARAB9A
SCHEMBL2263175 0.89 ALDH1A1 (0.46) TGFBR1ALDH1A1LMNA
SCHEMBL2256282 0.88 LMNA (0.49) TRPV1TGFBR1ALDH1A1LMNANPC1
SCHEMBL2258277 0.88 GLA (0.48) TRPV1TGFBR1ALDH1A1LMNAGAA
SCHEMBL2256123 0.86 TRPV1 (0.44) TRPV1TGFBR1ALDH1A1LMNACNR1
SCHEMBL2259409 0.86 TGFBR1 (0.41) TRPV1TGFBR1ALDH1A1LMNACNR1
SCHEMBL2260391 0.86 TGFBR1 (0.43) TRPV1TGFBR1ALDH1A1LMNAGAA

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 481/4885ALDH1A1 3692/4885

“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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