Sugi Predict

Sugi Predict / Compounds / SCHEMBL3606849

SCHEMBL3606849

SCHEMBL3606849

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PRNP P04156 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SIRT1 Q96EB6 2/20 0.38
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL3606479 0.88 MAPK1 (0.43) RXFP1CYP2C9CYP2C19PRNPCYP1A2
SCHEMBL2924397 0.88 ALDH1A1 (0.41) RXFP1CYP2C9CYP2C19PRNPCYP1A2
SCHEMBL3609170 0.87 MAPK1 (0.45) RXFP1CYP2C9CYP2C19PRNPCYP1A2
SCHEMBL2930135 0.86 RXFP1 (0.42) RXFP1CYP2C9CYP2C19PRNPCYP1A2
SCHEMBL3609940 0.85 MAP2 (0.51) SIRT1MAP2
SCHEMBL2924453 0.85 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL2930507 0.85 MAP2 (0.43) RXFP1NPSR1ALDH1A1MAPTKDM4E
SCHEMBL2924649 0.84 RXFP1 (0.46) RXFP1CYP2C9CYP2C19PRNPCYP1A2
SCHEMBL2931903 0.84 RXFP1 (0.46) RXFP1CYP2C9CYP2C19PRNPCYP1A2
SCHEMBL3609347 0.84 SIRT1 (0.40) RXFP1CYP2C9CYP2C19PRNPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 — — US claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 — — EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 — — WO claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 — — US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 — — US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 — — US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 — — US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 — — 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 (2 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT RXFP1 1318/4885CYP2C9 902/4885CYP2C19 766/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 RXFP1 706/4885CYP2C9 2703/4885CYP2C19 2625/4885

“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.