SCHEMBL10246464

SCHEMBL10246464

CCCCOC(=O)c1ccc(N)cc1OCCCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.70
CYP2D6 P10635 4/20 0.70
SCN1A P35498 3/20 0.70
SCN2A Q99250 3/20 0.70
SCN3A Q9NY46 3/20 0.70
TSHR P16473 7/20 0.60
CYP3A4 P08684 4/20 0.60
LMNA P02545 4/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
PDE4D Q08499 1/20 0.60
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 3/20 0.51
TP53 P04637 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
SCHEMBL12392710 0.91 CYP1A2 (0.60) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL22987103 0.91 CYP1A2 (0.78) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL14304169 0.89 CYP1A2 (0.72) CYP1A2CYP2D6SCN1ASCN2ASCN3A
Ambucaine SCHEMBL82280 0.88 SCN1A (0.91) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL15295021 0.88 CYP1A2 (0.59) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL7734044 0.88 TSHR (0.65) CYP1A2CYP2D6SCN1ASCN2ASCN3A
Ambucaine SCHEMBL1007224 0.87 CYP2D6 (0.88) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL5925544 0.87 CYP1A2 (0.72) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL11109738 0.86 ALDH1A1 (0.68) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL14577737 0.85 TSHR (0.60) CYP1A2CYP2D6SCN1ASCN2ASCN3A

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-20170101369-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-13 US disclosed
WO-2015179956-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-03 WO 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 CYP1A2 4214/4885CYP2D6 4083/4885SCN1A 3264/4885
US-20170101369-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS STAT5A, STAT5B, JAK2 CYP1A2 4466/4885CYP2D6 3670/4885SCN1A 2571/4885

“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.