SCHEMBL1199975

SCHEMBL1199975

O=C(O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ HPGD P15428 4/20 1.00
▸ HTT P42858 4/20 1.00
▸ SDHB P21912 6/20 0.74
▸ TP53 P04637 13/20 0.69
▸ GAA P10253 2/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ MAPT P10636 4/20 0.68
▸ NPSR1 Q6W5P4 3/20 0.64
▸ S1PR4 O95977 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ S1PR1 P21453 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ STAT1 P42224 1/20 0.61

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
SCHEMBL19806030 0.86 SDHB (0.86) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL19805710 0.86 SDHB (1.00) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL29976120 0.86 SDHB (1.00) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL19805786 0.84 SDHB (1.00) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL19805767 0.84 SDHB (0.74) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL19805808 0.83 SDHB (1.00) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL19805784 0.82 SDHB (0.88) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL20985690 0.80 SDHB (0.70) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL19805813 0.80 SDHB (0.74) KDM4EALDH1A1HPGDHTTSDHB
SCHEMBL27899247 0.79 TP53 (0.67) KDM4EALDH1A1HPGDHTTSDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 — — US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 — — US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 — — US disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 — — EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 — — 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 (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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 KDM4E 3571/4885ALDH1A1 72/4885HPGD 513/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 KDM4E 3571/4885ALDH1A1 72/4885HPGD 513/4885

“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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