SCHEMBL1035897

SCHEMBL1035897

CC(C)c1ccc(S)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TYR P14679 2/20 0.33
CHRNA7 P36544 1/20 0.33
HTT P42858 2/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
DEGS1 O15121 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
NOTUM Q6P988 3/20 0.31
NFKB1 P19838 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL24490998 0.82 UGT2B7 (0.36) LMNASMN1; SMN2ALDH1A1
SCHEMBL20780619 0.76
SCHEMBL83975 0.76 NOS3 (0.50) NPC1RAB9ASMN1; SMN2CHRNA7HTT
SCHEMBL31222667 0.76 NOS3 (0.50) NPC1RAB9ASMN1; SMN2CHRNA7HTT
SCHEMBL13602061 0.75 CCR1 (0.46) LMNANPC1RAB9ASMN1; SMN2TYR
SCHEMBL2741630 0.73 ESR1 (0.38) LMNANPC1RAB9ASMN1; SMN2TYR
SCHEMBL179333 0.73 LMNA (0.50) LMNANPC1RAB9ASMN1; SMN2TYR
SCHEMBL10186987 0.73 TAAR1 (0.30) NFKB1HIF1A
SCHEMBL10165324 0.72 CHRNA7 (0.31) CHRNA7
SCHEMBL84395 0.71 TYR (0.40) LMNANPC1RAB9ASMN1; SMN2TYR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US claimed
CN-1210105-A Process for preparation of 2,5-disubstituted pyridines HOFFMANN LA ROCHE (CH) 1999-03-10 CN claimed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP claimed
US-20230144322-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS CANCER TARGETED TECHNOLOGY, LLC 2023-05-11 US disclosed
US-9975896-B2 Inhibitors of transcription factors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-22 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
EP-1539980-B1 LIBRARY OF COMPLEXES COMPRISING SMALL NON-PEPTIDE MOLECULES AND DOUBLE-STRANDED OLIGONUCLEOTIDES IDENTIFYING THE MOLECULES NUEVOLUTION AS (DK) 2016-02-17 EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
CN-1103335-C Process for preparation of 2,5-disubstituted pyridines HOFFMANN LA ROCHE (CH) 2003-03-19 CN disclosed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US disclosed
CN-1210105-A Process for preparation of 2,5-disubstituted pyridines HOFFMANN LA ROCHE (CH) 1999-03-10 CN disclosed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP 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-20230144322-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS FOLH1, PSMA2, PSMA6 LMNA 2847/4885NPC1 587/4885RAB9A 1678/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR LMNA 2623/4885NPC1 1748/4885RAB9A 2121/4885

“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.