SCHEMBL2258277

SCHEMBL2258277

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.48
▸ CARM1 Q86X55 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ YWHAB P31946 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL2256123 0.94 TRPV1 (0.44) GLASMN1; SMN2TGFBR1ALDH1A1LMNA
SCHEMBL2256142 0.93 ALDH1A1 (0.42) GLACARM1TGFBR1ALDH1A1LMNA
SCHEMBL2256572 0.93 ALDH1A1 (0.43) GLACARM1TGFBR1ALDH1A1LMNA
SCHEMBL2256786 0.91 ALDH1A1 (0.52) GLASMN1; SMN2TGFBR1ALDH1A1GAA
SCHEMBL2260888 0.91 SMN1; SMN2 (0.46) GLACARM1SMN1; SMN2TGFBR1ALDH1A1
SCHEMBL2255354 0.90 TRPV1 (0.46) SMN1; SMN2TGFBR1ALDH1A1GAALMNA
SCHEMBL2258069 0.90 CA1 (0.47) GLATGFBR1ALDH1A1L3MBTL1HTT
SCHEMBL12361543 0.90 RAB9A (0.51) CARM1TGFBR1GAALMNATRPV1
SCHEMBL2257431 0.88 SMN1; SMN2 (0.55) SMN1; SMN2TGFBR1ALDH1A1L3MBTL1MAPK1
SCHEMBL2257541 0.88 TRPV1 (0.46) TGFBR1ALDH1A1GAALMNACNR1

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 GLA 2042/4885CARM1 2887/4885SMN1; SMN2 4725/4885

“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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