SCHEMBL2332575

SCHEMBL2332575

O=S(=O)(Cl)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
MMP12 P39900 2/20 0.50
MMP13 P45452 2/20 0.50
KDM4E B2RXH2 2/20 0.50
AHR P35869 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 4/20 0.49
HTT P42858 4/20 0.49
TSHR P16473 2/20 0.49
KEAP1 Q14145 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
BCAT1 P54687 3/20 0.48
L3MBTL1 Q9Y468 2/20 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
SCHEMBL29886865 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL6525933 0.91 L3MBTL1 (0.51) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL3072615 0.89 TSHR (0.56) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL3118164 0.85 TSHR (0.47) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL27576468 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL2818655 0.82 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL4238589 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL9338410 0.81 NPC1 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1MAPT
SCHEMBL23673449 0.81 AHR (0.54) SMN1; SMN2AHRBCAT1L3MBTL1
Hydrochloric Acid SCHEMBL9145969 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
EP-2945621-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 US disclosed
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
CN-101052919-B Sulfonate-containing composition for forming anti-reflective coating for lithography NISSAN CHEMICAL IND LTD 2011-05-25 CN disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US 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-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US 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
US-5391556-A Thrombin inhibitors KARL THOMAE GMBH (DE) 1995-02-21 US disclosed
EP-0555824-A1 N-alpha-arylsulfonylated benzimidazolylalaninamide derivatives, medicaments based thereon and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed
EP-0178183-B1 PREPARATION OF AROMATIC KETONE-SULFONE COPOLYMERS RAYCHEM CORPORATION (a Delaware corporation) (US) 1993-01-20 EP disclosed
US-4593086-A From carboxylic acid halide and aromatic dicarboxylic acid dihalide RAYCHEM CORPORATION (US) 1986-06-03 US disclosed
EP-0178183-A2 Preparation of aromatic ketone-sulfone copolymers RAYCHEM CORPORATION (a Delaware corporation) (US) 1986-04-16 EP 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 (5 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-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 SMN1; SMN2 793/4885ALDH1A1 954/4885HPGD 24/4885
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 SMN1; SMN2 793/4885ALDH1A1 954/4885HPGD 24/4885
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 SMN1; SMN2 793/4885ALDH1A1 954/4885HPGD 24/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 SMN1; SMN2 793/4885ALDH1A1 954/4885HPGD 24/4885
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 SMN1; SMN2 793/4885ALDH1A1 954/4885HPGD 24/4885

“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.