SCHEMBL16248194

SCHEMBL16248194

CCCS(=O)(=O)c1cnc(C(C)C)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.34
P2RY12 Q9H244 1/20 0.32
SERPINE1 P05121 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CDK2 P24941 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
S100A9 P06702 1/20 0.30
MMP1 P03956 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
ATR Q13535 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16248199 0.89 ALDH1A1 (0.34) SERPINE1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19788234 0.88 HDAC4 (0.34) LOXL2P2RY12SERPINE1NR1H2NR1H3
SCHEMBL17703476 0.80 LOXL2 (0.36) LOXL2P2RY12SERPINE1NR1H2NR1H3
SCHEMBL16248179 0.79 S100A9 (0.42) S100A9
SCHEMBL16248204 0.78 ABL1 (0.36) NR1H2NR1H3S100A9
SCHEMBL17702570 0.74 LMNA (0.31) LMNA
SCHEMBL25186851 0.67 KDM4E (0.39) ALDH1A1KDM4EHPGD
SCHEMBL17703478 0.67 PSIP1 (0.36) SERPINE1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4334828 0.67 GABRA1 (0.33) ALDH1A1LMNAKDM4EHPGD
SCHEMBL10634307 0.66 LMNA (0.40) LOXL2CYP1A2CYP2C9CYP2C19ALDH1A1

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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 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
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 (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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 LOXL2 2482/4885P2RY12 1030/4885SERPINE1 2146/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B LOXL2 2044/4885P2RY12 997/4885SERPINE1 1695/4885

“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.