SCHEMBL4893864

SCHEMBL4893864

Cc1c(C(=O)O)cn(CC(O)COc2ccc(F)cc2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.40
NR3C2 P08235 1/20 0.40
CYP2D6 P10635 1/20 0.39
AGER Q15109 1/20 0.39
CACNA1G O43497 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 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
SCHEMBL4638483 1.00 ABCB1 (0.40) ABCB1NR3C2CYP2D6AGERCACNA1G
SCHEMBL4638620 0.87 CACNA1G (0.43) ABCB1AGERCACNA1GKMT2ACYP1A2
SCHEMBL4639356 0.87 CACNA1G (0.43) ABCB1AGERCACNA1GKMT2ACYP1A2
SCHEMBL4888666 0.87 CACNA1G (0.43) ABCB1AGERCACNA1GKMT2ACYP1A2
SCHEMBL1380184 0.83 NR3C2 (0.66) NR3C2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL1384476 0.83 NR3C2 (0.66) NR3C2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL4638900 0.81 NR3C2 (0.44) NR3C2LMNAMAPT
SCHEMBL2438203 0.81 AGER (0.46) ABCB1AGERKMT2ACYP1A2CYP3A4
Alcohol SCHEMBL21043557 0.75 NR3C2 (0.62) NR3C2FFAR4
SCHEMBL18566947 0.74 NR3C2 (0.53) NR3C2

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-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 ABCB1 1212/4885NR3C2 119/4885CYP2D6 2175/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 ABCB1 1212/4885NR3C2 119/4885CYP2D6 2175/4885

“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.