SCHEMBL2256221

SCHEMBL2256221

Cc1cc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)sn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
GCK P35557 1/20 0.41
P2RY1 P47900 3/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
RXRA P19793 3/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
RIPK1 Q13546 1/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL2255072 0.85 TGFBR1 (0.45) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2258199 0.85 TGFBR1 (0.45) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2260473 0.84 SMN1; SMN2 (0.50) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2259644 0.84 TGFBR1 (0.44) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2257556 0.84 GCK (0.58) TGFBR1GCKALDH1A1LMNASMN1; SMN2
SCHEMBL2260521 0.84 MAPT (0.46) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2258261 0.83 KDM4E (0.47) TGFBR1P2RY1ALDH1A1MAPTMAPK1
SCHEMBL2259720 0.83 TGFBR1 (0.45) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2257476 0.83 TGFBR1 (0.47) TGFBR1GCKP2RY1ALDH1A1LMNA
SCHEMBL2257314 0.83 TGFBR1 (0.47) TGFBR1P2RY1ALDH1A1LMNARXRA

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
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 TGFBR1 481/4885GCK 1410/4885P2RY1 302/4885

“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.