SCHEMBL5627486

SCHEMBL5627486

COc1ccc(COc2ccc(S(C)(=O)=O)cc2C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
TUBB1 Q9H4B7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR5 P51681 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PDCD1 Q15116 1/20 0.43

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
SCHEMBL8161041 0.85 PTGER1 (0.48) CYP19A1NPC1RAB9AALDH1A1HPGD
SCHEMBL21347524 0.85 TUBB1 (0.59) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL7147744 0.84 TUBB1 (0.66) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL5286017 0.81 ALDH1A1 (0.56) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL29859226 0.80 CCR5 (0.63) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL5628127 0.80 CCR5 (0.63) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL5631282 0.80 TUBB1 (0.51) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL30660124 0.79 TUBB1 (0.56) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL22090540 0.79 TUBB1 (0.56) TUBB1NPC1RAB9ATDP1ALDH1A1
SCHEMBL7092074 0.79 SMN1; SMN2 (0.61) TUBB1TDP1PTGS2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR CYP19A1 241/4885TUBB1 3284/4885NPC1 2993/4885

“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.