SCHEMBL10244532

SCHEMBL10244532

CCc1ccc(-c2ccc(-c3cccc(C#N)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
GSK3A P49840 3/20 0.49
GSK3B P49841 3/20 0.49
GRIA2 P42262 1/20 0.49
GRIA4 P48058 1/20 0.49
AURKA O14965 1/20 0.49
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
PGR P06401 2/20 0.48
CLK4 Q9HAZ1 1/20 0.47
PTPN5 P54829 1/20 0.47
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
NR3C2 P08235 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL8982347 1.00 CYP2A6 (0.57) CYP2A6MMP12MMP13HDAC8GSK3A
SCHEMBL13266542 0.87 GABRG2 (0.49) CYP2A6GRIA2GRIA4GABRG2GABRB3
SCHEMBL14672161 0.86 MMP12 (0.56) MMP12MMP13HDAC8GSK3AGSK3B
SCHEMBL19608767 0.84 GABRG2 (0.45) CYP2A6MMP12MMP13HDAC8GRIA2
SCHEMBL15245751 0.84 LOXL2 (0.59) CYP2A6MMP12MMP13HDAC8GSK3A
SCHEMBL19743177 0.83 CYP2A6 (0.63) CYP2A6PGR
SCHEMBL27787243 0.82 CLK4 (0.63) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL11753901 0.82 TSHR (0.69) MMP12MMP13HDAC8GABRG2GABRB3
SCHEMBL13675358 0.82 CYP2A6 (0.57) CYP2A6CTSSCTSK
SCHEMBL9846008 0.82 MMP12 (0.51) MMP12MMP13HDAC8GSK3AGSK3B

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
US-10196373-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-02-05 US disclosed
US-20150038708-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 US disclosed
US-8846707-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of stat protein UNIVERISTY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-09-30 US disclosed
WO-2012018868-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEINS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-02-09 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-20150038708-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEIN STAT3, STAT1, STAT4 CYP2A6 3172/4885MMP12 1333/4885MMP13 1642/4885
US-10196373-B2 Substituted 2-hydroxy-4-(2-(phenylsulfonamido)acetamido)benzoic acid analogs as inhibitors of STAT protein STAT3, STAT1, STAT4 CYP2A6 3172/4885MMP12 1333/4885MMP13 1642/4885

“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.