Sugi Predict

Sugi Predict / Compounds / SCHEMBL3576472

SCHEMBL3576472

SCHEMBL3576472

Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)[nH]c(C(N)=O)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ LMNA P02545 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL3589851 0.94 CRHBP (0.39) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3575169 0.92 NPSR1 (0.44) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3579793 0.91 CRHBP (0.40) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3581876 0.91 NR1H2 (0.41) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3579134 0.91 MEN1 (0.36) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3585374 0.91 NR3C1 (0.38) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3577635 0.91 CRHBP (0.40) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3586897 0.90 KMT2A (0.42) LMNAHTTALDH1A1GAAMEN1
SCHEMBL3587819 0.90 CRHBP (0.37) NPSR1HPGDL3MBTL1CRHBPCRHR2
SCHEMBL3587658 0.89 CRHBP (0.40) NPSR1HPGDL3MBTL1CRHBPCRHR2

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 7 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
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 NPSR1 3285/4885HPGD 1165/4885L3MBTL1 1653/4885

“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.