SCHEMBL10797154

SCHEMBL10797154

CN(CCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA2 P00918 1/20 0.50
▸ LTA4H P09960 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PPARG P37231 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL6310447 0.89 CA12 (0.47) CA12CA9CA2LTA4HTAAR1
Benzimidazole SCHEMBL27671195 0.82 TAAR1 (0.42) CA12CA9CA2LTA4HTAAR1
SCHEMBL9635096 0.81 CYP2D6 (0.44) LTA4HL3MBTL1CYP3A4ALDH1A1TSHR
SCHEMBL10336428 0.81 LTA4H (0.34) CA12CA9CA2LTA4H
SCHEMBL18747673 0.80 MTNR1A (0.46) CA12CA9CA2LTA4HESR1
SCHEMBL13376466 0.80 CA12 (0.63) CA12CA9CA2L3MBTL1ESR1
SCHEMBL7644045 0.80 HSP90AA1 (0.40) CA12CA9CA2LTA4HESR1
SCHEMBL6365451 0.80 LTA4H (0.34) CA12CA9CA2LTA4H
SCHEMBL10633828 0.80 ALDH1A1 (0.42) CA12CA9CA2LTA4HALDH1A1
SCHEMBL11338860 0.79 CYP2A6 (0.48) LTA4HL3MBTL1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 — — US disclosed
CN-101076395-A Encapsulation product, process for producing the same, and ink composition SEIKO EPSON CORP (JP) 2007-11-21 — — CN disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 — — US disclosed
EP-0051808-B1 WATER-SOLUBLE MONOAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-04 — — EP disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 — — US disclosed
EP-0051808-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 — — 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 (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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 CA12 4839/4885CA9 4831/4885CA2 3556/4885

“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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