SCHEMBL5956141

SCHEMBL5956141

COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(N)=O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.58
FFAR4 Q5NUL3 2/20 0.58
MRGPRX1 Q96LB2 1/20 0.54
KCNA5 P22460 1/20 0.53
TRIM24 O15164 1/20 0.53
BRPF1 P55201 1/20 0.53
CKS1B P61024 1/20 0.53
SKP2 Q13309 1/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL3514410 0.91 CYP2C9 (0.65) CYP2C9CYP1A2CYP2C19FFAR4MRGPRX1
SCHEMBL5955266 0.89 CYP2C9 (0.69) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL5955445 0.89 CYP2C9 (0.84) CYP2C9CYP1A2CYP2C19FFAR4KCNA5
SCHEMBL3512748 0.84 CYP2C9 (0.60) CYP2C9CYP1A2CYP2C19FFAR4MRGPRX1
SCHEMBL3512980 0.84 CYP2C9 (0.72) CYP2C9CYP1A2CYP2C19FFAR4MRGPRX1
SCHEMBL5955223 0.84 FFAR4 (0.68) CYP2C9CYP1A2CYP2C19FFAR4TRIM24
SCHEMBL5956173 0.83 FFAR4 (0.64) CYP2C9CYP1A2CYP2C19FFAR4MRGPRX1
SCHEMBL5955260 0.83 FFAR4 (0.64) CYP2C9CYP1A2CYP2C19FFAR4MRGPRX1
SCHEMBL14075396 0.83 CYP2C9 (0.73) CYP2C9CYP1A2CYP2C19FFAR4ALDH1A1
SCHEMBL3512984 0.83 CYP2C9 (0.90) CYP2C9CYP1A2CYP2C19FFAR4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006014405-A2 SULFONAMIDE-BASED COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO claimed
US-20060004197-A1 Sulfonamide-based compounds as protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US claimed
WO-2006014405-A2 SULFONAMIDE-BASED COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO disclosed
US-20060004197-A1 Sulfonamide-based compounds as protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US 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-20060004197-A1 Sulfonamide-based compounds as protein tyrosine kinase inhibitors SRC, LCK, ABL1 CYP2C9 4172/4885CYP1A2 4248/4885CYP2C19 3983/4885

“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.