SCHEMBL6828522

SCHEMBL6828522

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(NC(=O)Nc4ccc(C(C)C)cc4)cc3)cc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL6828214 0.89 MGLL (0.46) OPRM1OPRD1MAPTRAB9A
SCHEMBL6828588 0.85 CA2 (0.48) THRBCA12CA1CA2CA9
SCHEMBL6828202 0.84 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6828215 0.82 MAPT (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6828538 0.82 MGLL (0.51) TP53MAPTKMT2ALMNA
SCHEMBL6825513 0.81 MAPT (0.47) MAPT
SCHEMBL6825294 0.77 TP53 (0.44) TP53OPRM1OPRD1MAPTKMT2A
SCHEMBL6828344 0.77 MAPT (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6828206 0.77 MAPT (0.47) OPRM1OPRD1MAPTKMT2ARAB9A
SCHEMBL6828518 0.76 MAPT (0.46) TP53MAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 — — US claimed
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 — — 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-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 THRB 2621/4885PSEN1 1977/4885PSEN2 1996/4885

“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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