SCHEMBL6685526

SCHEMBL6685526

NC(=O)c1nc(-c2ccc(O)cc2O)cs1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 12/20 0.64
▸ AMY1A P0DUB6 5/20 0.55
▸ CSNK2A1 P68400 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ VCP P55072 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ PIM1 P11309 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL31718136 1.00 TYR (0.64) TYRAMY1ACSNK2A1MEN1POLB
SCHEMBL6686667 0.83 HTR2B (0.56) TYRAMY1AMEN1MAPTKMT2A
SCHEMBL29213708 0.80 TYR (0.62) TYRAMY1ACSNK2A1MEN1POLB
SCHEMBL6687941 0.79 LTA4H (0.61) AMY1AMEN1POLBGAAMAPT
SCHEMBL6685534 0.78 TYR (1.00) TYRAMY1AMEN1POLBGAA
SCHEMBL31137885 0.78 TYR (0.59) TYRAMY1ACSNK2A1MEN1POLB
SCHEMBL16238657 0.76 MAPT (0.51) MEN1POLBMAPTKMT2AKDM4E
SCHEMBL5999257 0.76 KDM4E (0.55) AMY1ACSNK2A1MEN1POLBMAPT
SCHEMBL21835963 0.76 TYR (0.56) TYRAMY1ACSNK2A1MEN1POLB
SCHEMBL29213706 0.76 TYR (0.71) TYRAMY1ACSNK2A1MEN1POLB

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-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-11-11 — — US claimed
WO-2004075864-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-10 — — WO claimed
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-11-11 — — US disclosed
WO-2004075864-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-10 — — 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-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R TYR 2446/4885AMY1A 614/4885CSNK2A1 880/4885

“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.

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