SCHEMBL2541630

SCHEMBL2541630

Cc1c(C(=O)O)c[nH]c1-c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
GRIK1 P39086 1/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
NOTUM Q6P988 2/20 0.38
SCN9A Q15858 1/20 0.38
MPO P05164 1/20 0.38
DYRK1A Q13627 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
SCHEMBL2359646 0.86 NR4A2 (0.51) TMPRSS4TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2359387 0.86 EIF4E (0.41) ALDH1A1MYCCA1CA2NOTUM
SCHEMBL29410865 0.81 TAS2R14 (0.47) ALDH1A1NOTUMKDM4E
SCHEMBL3302698 0.81 TAS2R14 (0.47) ALDH1A1NOTUMKDM4E
SCHEMBL28153307 0.75 KDM4C (0.45) TMPRSS4KDM4CGRIK1TP53ALDH1A1
SCHEMBL2359932 0.75 PRKAG1 (0.44) KDM4E
SCHEMBL427243 0.74 SMN1; SMN2 (0.59) GRIK1TP53ALDH1A1MAPTRAB9A
SCHEMBL2359095 0.72 NR4A2 (0.41) NR4A2
SCHEMBL950905 0.72 ALDH1A1 (0.57) TMPRSS4GRIK1TP53ALDH1A1RAB9A
SCHEMBL38420096 0.72 ALDH1A1 (0.57) TMPRSS4GRIK1TP53ALDH1A1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349997-B1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS INC (US) 2015-08-12 EP disclosed
EP-2349997-B1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS INC (US) 2015-08-12 EP disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
WO-2010042622-A1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS, INC. (US) 2010-04-15 WO disclosed
WO-2010042622-A1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS, INC. (US) 2010-04-15 WO 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-20110263673-A1 Atropisomers of (Hydroxyalkyl) Pyrrole Derivatives ADRB3, HSD11B1, AKR1C3 F7 3055/4885F3 1117/4885TMPRSS4 4295/4885

“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.