SCHEMBL5510992

SCHEMBL5510992

CN(C1CCCCC1)S(=O)(=O)c1cccc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MCOLN3 Q8TDD5 1/20 0.52
▸ MAPT P10636 1/20 0.48
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 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
Tert-Butyl Formate SCHEMBL27699524 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EMCOLN3
SCHEMBL3997893 0.87 VCP (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5517118 0.77 BRD4 (0.62) ALDH1A1KMT2AKDM4ETSHRCA12
SCHEMBL5508919 0.75 KDM4E (0.52) ALDH1A1MEN1KMT2AKDM4EMCOLN3
SCHEMBL5512640 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EMCOLN3
SCHEMBL4159760 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EMCOLN3
SCHEMBL4138684 0.73 TDP1 (0.38) ALDH1A1MEN1KMT2AKDM4EMCOLN3
SCHEMBL5512259 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EMCOLN3
SCHEMBL25727788 0.72 PTGS2 (0.41) ALDH1A1KDM4ECYP3A4CYP2C9TSHR
SCHEMBL17479797 0.72 MEN1 (0.53) ALDH1A1MEN1KMT2AKDM4EMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 — — CN disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 — — EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 — — WO 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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 ALDH1A1 1779/4885MEN1 4654/4885KMT2A 4133/4885

“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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