Sugi Predict

Sugi Predict / Compounds / SCHEMBL6639675

SCHEMBL6639675

SCHEMBL6639675

Cc1ccc(S(=O)(=O)OCC2CCCC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ENPP3 O14638 2/20 0.37
▸ ENPP1 P22413 2/20 0.37
▸ ENPP2 Q13822 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TSHR P16473 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
SCHEMBL14368963 0.98 MAOA (0.43) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL25318764 0.93 MAOB (0.45) MAOAMAOBKMT2AL3MBTL1ENPP3
SCHEMBL25320712 0.89 MAOA (0.42) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL25318976 0.87 MAOA (0.42) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL25322036 0.82 MAOB (0.43) MAOAMAOBKMT2AENPP3ENPP1
SCHEMBL30993106 0.81 BTK (0.42) MAOAMAOBKMT2AL3MBTL1KDM1A
SCHEMBL6104225 0.81 BTK (0.42) MAOAMAOBKMT2AL3MBTL1KDM1A
SCHEMBL5437335 0.81 BTK (0.42) MAOAMAOBKMT2AL3MBTL1KDM1A
SCHEMBL2443355 0.81 POLB (0.37) KMT2APOLBENPP3ENPP1ENPP2
SCHEMBL25322196 0.81 BTK (0.47) MAOAMAOBKMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 — — EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 — — US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 — — US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 — — US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 — — EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 — — 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 (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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 MAOA 2202/4885MAOB 1898/4885KMT2A 4688/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 MAOA 2380/4885MAOB 1958/4885KMT2A 4622/4885

“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.