SCHEMBL16235221

SCHEMBL16235221

COc1cc(SC)nnc1NS(=O)(=O)Cc1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX7 Q99572 5/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL16234934 0.84 CYP17A1 (0.37) CYP17A1ALDH1A1MAPK1PTK2BHDAC8
SCHEMBL16235560 0.83 P2RX7 (0.37) CYP17A1ALDH1A1MAPK1PTK2BHDAC8
SCHEMBL16235462 0.83 S100A9 (0.46) CYP17A1ALDH1A1MAPK1PTK2BKDM4E
SCHEMBL16235051 0.72 S100A9 (0.45) CYP17A1ALDH1A1MAPK1PTK2BLMNA
SCHEMBL16235557 0.71 S100A9 (0.43) CYP17A1ALDH1A1MAPK1PTK2B
SCHEMBL16235210 0.70 S100A9 (0.43) CYP17A1ALDH1A1MAPK1PTK2BSMN1; SMN2
SCHEMBL16235428 0.69 CCR4 (0.47) ALDH1A1LMNAMAPTHTT
SCHEMBL16235981 0.69 S100A9 (0.44) ALDH1A1KCNH2KDM4ENPC1
SCHEMBL16235685 0.69 SMN1; SMN2 (0.49) ALDH1A1MEN1LMNAMAPTTHRB
SCHEMBL16235089 0.68 S100A9 (0.47) ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-11-13 — — US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 — — US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 — — US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 — — EP disclosed
EP-2925743-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2015-10-07 — — EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — 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 (3 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-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors S100A9, S100B, S100A10 CYP17A1 3644/4885ALDH1A1 4109/4885MAPK1 1959/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 CYP17A1 3644/4885ALDH1A1 4109/4885MAPK1 1959/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B CYP17A1 4727/4885ALDH1A1 4370/4885MAPK1 1727/4885

“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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