SCHEMBL12255255

SCHEMBL12255255

COC(=O)Cc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(F)c(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.56
PTGDR Q13258 4/20 0.52
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 1/20 0.45
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL18239765 0.84 PTGDR2 (0.48) PTGDR2PTGDRMAPT
SCHEMBL12255254 0.79 PTGDR2 (0.52) PTGDR2PTGDRAKR1C3
SCHEMBL2388026 0.78 AKR1C3 (0.45) AKR1C3AKR1C2MAPTTSHRLMNA
SCHEMBL13228926 0.74 PTGS2 (0.65) PTGDR2PTGDRAKR1C3AKR1C2MAPT
SCHEMBL2389675 0.74 AKR1C3 (0.42) AKR1C3AKR1C2TSHRKDM4ELMNA
SCHEMBL1941149 0.74 PTGDR2 (0.84) PTGDR2TSHRKDM4EALDH1A1
SCHEMBL18239866 0.74 PTGDR2 (0.43) PTGDR2PTGDRMAPTMEN1KMT2A
SCHEMBL18239709 0.73 PTGDR2 (0.44) PTGDR2PTGDRMAPTTSHRKDM4E
SCHEMBL12255264 0.73 PTGDR2 (0.42) PTGDR2PTGDRAKR1C3TSHRCYP1A2
SCHEMBL2004522 0.72 PTGDR2 (0.66) PTGDR2PTGDRAKR1C3AKR1C2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 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-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES IDO1, TPH1, FOXM1 PTGDR2 2499/4885PTGDR 2177/4885AKR1C3 53/4885

“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.