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Sugi Predict / Compounds / SCHEMBL3583754

SCHEMBL3583754

SCHEMBL3583754

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)N(C)Cc3ccc4ncccc4c3)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.41
▸ PDK1 Q15118 2/20 0.40
▸ USP30 Q70CQ3 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT1 P17948 1/20 0.33

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
SCHEMBL3590929 0.92 SPR (0.40) SPRPDK1USP30ALDH1A1MAPK1
SCHEMBL3590189 0.89 SPR (0.38) SPRPDK1USP30HCRTR1HCRTR2
SCHEMBL3584400 0.88 SPR (0.38) SPRPDK1USP30ALDH1A1MAPK1
SCHEMBL3593677 0.86 NAMPT (0.38) SPRPDK1USP30ALDH1A1MAPK1
SCHEMBL3586065 0.86 KDM4E (0.35) ALDH1A1RECQL
SCHEMBL3574643 0.83 SPR (0.38) SPRPDK1USP30ALDH1A1MAPK1
SCHEMBL3575238 0.83 KMT2A (0.46) ALDH1A1RAB9ABRD4BRD3SMN1; SMN2
SCHEMBL3587816 0.83 KDM4E (0.31) PDK1HCRTR1HCRTR2ALDH1A1
SCHEMBL3579566 0.82 PDK1 (0.43) SPRPDK1USP30ALDH1A1MAPK1
SCHEMBL3587158 0.82 PDK1 (0.42) SPRPDK1USP30ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 — — US claimed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 — — EP claimed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 — — WO claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 — — US disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 — — US disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 — — US disclosed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 — — EP disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 — — WO disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 — — 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E SPR 217/4885PDK1 1786/4885USP30 3538/4885

“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.