SCHEMBL2818655

SCHEMBL2818655

O=S(=O)(O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
MMP12 P39900 2/20 0.53
MMP13 P45452 2/20 0.53
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 4/20 0.49
TSHR P16473 3/20 0.49
BCAT1 P54687 3/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 3/20 0.48

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
Hydrochloric Acid SCHEMBL9145969 0.98 SMN1; SMN2 (0.61) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
Water SCHEMBL18832247 0.98 SMN1; SMN2 (0.61) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
SCHEMBL6522524 0.91 L3MBTL1 (0.56) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
SCHEMBL29987043 0.89 TSHR (0.60) SMN1; SMN2MMP12MMP13ALDH1A1HPGD
SCHEMBL687182 0.89 TSHR (0.60) SMN1; SMN2MMP12MMP13ALDH1A1HPGD
SCHEMBL27576468 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
SCHEMBL4238589 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
SCHEMBL2332575 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
SCHEMBL29886865 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1
SCHEMBL15896281 0.81 MMP12 (0.60) SMN1; SMN2MMP12MMP13KEAP1ALDH1A1

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 237 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459463-B Method for producing polyaniline composite composition, and polyaniline composite composition 出光兴产株式会社 2020-08-04 CN claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP claimed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO claimed
EP-1363668-B1 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2007-08-15 EP claimed
EP-1810693-A2 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions Shering Corporation (US) 2007-07-25 EP claimed
EP-1785144-A2 Combinations of bile acids sequestrant(s) and sterol absorption inhibitor(s) and treatments for vascular indications Shering Corporation (US) 2007-05-16 EP claimed
EP-1353694-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS Schering Corporation (US) 2003-10-22 EP claimed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US claimed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO claimed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP claimed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN claimed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP claimed
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 US claimed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO claimed
CN-122055804-A Solid electrolytic capacitor and method for manufacturing the same 出光兴产株式会社 2026-05-15 CN disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 SMN1; SMN2 4285/4885MMP12 4691/4885MMP13 4791/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 SMN1; SMN2 4546/4885MMP12 338/4885MMP13 493/4885

“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.