Sugi Predict

Sugi Predict / Compounds / SCHEMBL12255237

SCHEMBL12255237

SCHEMBL12255237

COC(=O)Cc1c(C)[nH]c2cc(C(F)(F)F)c(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.46
▸ MTNR1B P49286 4/20 0.46
▸ AKR1C2 P52895 1/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EGFR P00533 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ EIF2AK3 Q9NZJ5 1/20 0.35

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
SCHEMBL12255348 0.89 AKR1C2 (0.56) MTNR1AMTNR1BAKR1C2LMNAL3MBTL1
SCHEMBL13299834 0.86 AKR1C2 (0.41) MTNR1AMTNR1BAKR1C2L3MBTL1KDM4E
SCHEMBL12255233 0.84 MTNR1A (0.48) MTNR1AMTNR1BAKR1C2PDE3BPDE3A
SCHEMBL12255322 0.83 MTNR1A (0.38) MTNR1AMTNR1BPDE3BPDE3ALMNA
SCHEMBL2427937 0.78 MTNR1A (0.46) MTNR1AMTNR1BAKR1C2PDE3BPDE3A
SCHEMBL28733295 0.78 AKR1C2 (0.57) MTNR1AMTNR1BAKR1C2LMNAL3MBTL1
SCHEMBL6287945 0.78 KIF11 (0.48) AKR1C2MEN1KMT2AMAPTEGFR
SCHEMBL2388001 0.75 AKR1C3 (0.47) MTNR1AMTNR1BAKR1C2LMNAL3MBTL1
SCHEMBL12255402 0.74 AKR1C2 (0.44) MTNR1AMTNR1BAKR1C2L3MBTL1KDM4E
SCHEMBL13229806 0.74 LMNA (0.47) MTNR1AMTNR1BAKR1C2LMNAL3MBTL1

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 MTNR1A 62/4885MTNR1B 163/4885AKR1C2 87/4885

“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.