Sugi Predict

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SCHEMBL6316462

SCHEMBL6316462

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1C(=O)c3cc(Cl)c(Cl)cc3C1=O)OC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.35
▸ ALDH1A1 P00352 10/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 4/20 0.32
▸ GRM6 O15303 1/20 0.32
▸ CISD2 Q8N5K1 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL5838365 0.89 CYP1A2 (0.40) ADORA1ALDH1A1KDM4EMAPTLMNA
SCHEMBL5838682 0.88 HPGD (0.33) ADORA1ALDH1A1KDM4EMAPTHPGD
SCHEMBL5838574 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHSD17B10CASP1
SCHEMBL5837768 0.88 ALDH1A1 (0.45) ALDH1A1HSD17B10CASP1CASP7TSHR
SCHEMBL5837777 0.85 ACHE (0.39) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL5838142 0.85 ADORA1 (0.38) ADORA1ALDH1A1KDM4EMAPTLMNA
SCHEMBL5837759 0.84 ADORA1 (0.36) ADORA1ALDH1A1KDM4EMAPTHPGD
SCHEMBL5837696 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHSD17B10CASP1
SCHEMBL6316763 0.84 ALDH1A1 (0.39) ADORA1ALDH1A1KDM4EMAPTLMNA
SCHEMBL5837601 0.83 MEN1 (0.35) ADORA1ALDH1A1MAPTNPC1RAB9A

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
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 — — US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 — — US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 — — US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 — — US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 — — EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 — — 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA ADORA1 4588/4885ALDH1A1 3737/4885KDM4E 2352/4885

“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.