SCHEMBL4177534

SCHEMBL4177534

CCOc1ccc(/C=C(\C(N)=O)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.58
▸ LMNA P02545 4/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NPC1 O15118 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ PTGS2 P35354 2/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ BRAF P15056 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL4177545 1.00 MAPT (0.58) MAPTLMNASMN1; SMN2NTSR1NPSR1
SCHEMBL4177540 1.00 MAPT (0.58) MAPTLMNASMN1; SMN2NTSR1NPSR1
SCHEMBL4182835 0.87 PTPN7 (0.46) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4174013 0.87 TACR2 (0.47) MAPTLMNASMN1; SMN2NPSR1NPC1
SCHEMBL4174018 0.87 TACR2 (0.47) MAPTLMNASMN1; SMN2NPSR1NPC1
SCHEMBL4182838 0.87 PTPN7 (0.46) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4182828 0.87 PTPN7 (0.46) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4174021 0.87 TACR2 (0.47) MAPTLMNASMN1; SMN2NPSR1NPC1
SCHEMBL4181326 0.77 LMNA (0.42) MAPTLMNASMN1; SMN2NPSR1NPC1
SCHEMBL4181334 0.77 LMNA (0.42) MAPTLMNASMN1; SMN2NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 MAPT 3633/4885LMNA 4621/4885SMN1; SMN2 448/4885

“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.

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