SCHEMBL4021244

SCHEMBL4021244

CN(C)c1cccc2c(S(=O)(=O)NCCNS(=O)(=O)c3ccc(CN(Cc4cccc(Cl)c4)C(=O)C(=O)O)s3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
PTGS2 P35354 2/20 0.43
GBA1 P04062 2/20 0.41
EPHX2 P34913 1/20 0.41
GLB1 P16278 1/20 0.41
TGM2 P21980 3/20 0.41
EDNRA P25101 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
FUCA1 P04066 1/20 0.40

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
SCHEMBL4020745 0.81 SMN1; SMN2 (0.48) ALDH1A1MAPK1
SCHEMBL1857604 0.80 CASR (0.40) KDM4EALDH1A1
SCHEMBL4018016 0.76 PTGES (0.37) KDM4EALDH1A1
SCHEMBL25737609 0.75 CNR1 (0.37) ALDH1A1
SCHEMBL4021417 0.74 LIMK2 (0.39) KDM4EALDH1A1
SCHEMBL1853214 0.73 TSHR (0.43) EPHX2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL4711971 0.72 HDAC4 (0.54) HDAC4HDAC10HDAC6HDAC5PTGS2
SCHEMBL4711969 0.72 HDAC4 (0.53) HDAC4HDAC10HDAC6HDAC5PTGS2
SCHEMBL1856431 0.71 SMN1; SMN2 (0.50) EPHX2ALDH1A1MAPK1
SCHEMBL17383734 0.70 CYP3A4 (0.68) HDAC4HDAC10HDAC6HDAC5GBA1

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-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US claimed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
US-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections LABORATOIRES SERONO SA (CH) 2009-01-15 US disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 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-20090018169-A1 Sulfonamide Derivatives for the Treatment of Bacterial Infections STS, TST, SULT1A1 HDAC4 1369/4885HDAC10 1455/4885HDAC6 224/4885

“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.