SCHEMBL1651978

SCHEMBL1651978

Oc1c(S)cccc1C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.57
NFE2L2 Q16236 6/20 0.47
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
TTR P02766 1/20 0.44
ALOX5 P09917 1/20 0.44
RELA Q04206 1/20 0.44
AHR P35869 1/20 0.41
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DHFR P00374 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
SCHEMBL15797144 0.86 TRPA1 (0.68) TRPA1NFE2L2PTGS1PTGS2TTR
SCHEMBL15797145 0.86 TRPA1 (0.68) TRPA1NFE2L2PTGS1PTGS2TTR
SCHEMBL17594612 0.80 NFE2L2 (0.50) TRPA1NFE2L2CYP19A1MAOAMAOB
SCHEMBL31421960 0.80 NFE2L2 (0.50) TRPA1NFE2L2CYP19A1MAOAMAOB
SCHEMBL30279756 0.80 TRPA1 (0.73) TRPA1NFE2L2PTGS1PTGS2TTR
SCHEMBL717978 0.80 TRPA1 (0.73) TRPA1NFE2L2PTGS1PTGS2TTR
SCHEMBL9743428 0.80 TRPA1 (0.73) TRPA1NFE2L2PTGS1PTGS2TTR
SCHEMBL3374804 0.78 NFE2L2 (0.48) TRPA1NFE2L2CYP19A1MAOAMAOB
SCHEMBL135419 0.77 PTGS1 (0.58) TRPA1NFE2L2PTGS1PTGS2TTR
SCHEMBL5605568 0.77 TRPA1 (0.57) TRPA1NFE2L2PTGS1PTGS2TTR

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-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 US disclosed
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species MONTE AARON P 2011-04-21 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-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species ABCC1, H1-3, H1-2 TRPA1 261/4885NFE2L2 2978/4885PTGS1 681/4885

“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.