SCHEMBL16235271

SCHEMBL16235271

COc1cc(I)nnc1NS(=O)(=O)Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPK1 P28482 4/20 0.42
▸ NR1I2 O75469 4/20 0.41
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL16235759 0.85 TSHR (0.50) TSHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL16235076 0.84 TSHR (0.49) TSHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL16234934 0.74 CYP17A1 (0.37) ALDH1A1SMN1; SMN2KDM4EMAPK1HTT
SCHEMBL16235459 0.72 ALDH1A1 (0.52) TSHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL16235088 0.71 S100A9 (0.56) —
SCHEMBL16234963 0.71 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL16235831 0.70 CCR4 (0.49) ALDH1A1HTTLMNA
SCHEMBL16235444 0.69 SMN1; SMN2 (0.33) TSHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12492810 0.68 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL167689 0.67 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2KDM4EHPGD

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 TSHR 3875/4885ALDH1A1 4109/4885SMN1; SMN2 188/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 TSHR 3875/4885ALDH1A1 4109/4885SMN1; SMN2 188/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B TSHR 4024/4885ALDH1A1 4370/4885SMN1; SMN2 235/4885

“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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