SCHEMBL4188076

SCHEMBL4188076

SSc1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.56
ADRA2C P18825 1/20 0.56
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
GFER P55789 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4188069 0.83 DDAH1 (0.59) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL28366757 0.83 DDAH1 (0.59) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL16237419 0.81 DDAH1 (0.62) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL31155591 0.79 ELANE (0.58) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL6246856 0.79 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL4825241 0.79 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL12774716 0.79 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL303847 0.79 ELANE (0.58) DDAH1ADRA2CALDH1A1KMT2ALMNA
SCHEMBL16238149 0.79 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ALMNA
Iodide SCHEMBL2761751 0.78 ELANE (0.56) DDAH1ADRA2CALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176512-A1 Asymmetric disulfides and methods of using same PROLX PHARMACEUTICALS CORPORATION (CA) 2003-09-18 US claimed
CN-114127181-B Thermoplastic resin composition and molded article thereof 大科能宇菱通株式会社 2024-05-28 CN disclosed
CN-114127181-A Thermoplastic resin composition and molded article thereof 大科能宇菱通株式会社 2022-03-01 CN disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2009082686-A1 COMPOSITIONS AND METHODS FOR USING ASYMMETRIC DISULFIDES PROLX PHARMACEUTICALS CORP. (US) 2009-07-02 WO disclosed
EP-1786477-A2 METHOD OF PRESELECTION PATIENTS FOR ANTI-VEGF, ANTI-HIF-1 OR ANTI-THIOREDOXIN THERAPY Prolx Pharmaceuticals Corp. (US) 2007-05-23 EP disclosed
US-20060104902-A1 Method of preselection patients for anti-VEGF, anti-HIF-1 or anti-thioredoxin therapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-05-18 US disclosed
WO-2006023658-A2 METHOD OF PRE-SELECTING PATIENTS FOR ANTI-VEGF, ANTI-HIF-1 OR ANTI-THIOREDOXIN THERAPY PROLX PHARMACEUTICALS CORP. (US) 2006-03-02 WO disclosed
WO-2005007108-A2 ASYMMETRIC DISULFIDES AND METHODS OF USING SAME PROLX PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20040116496-A1 Asymmetric Disulfides and methods of using same PROLX PHARMACEUTICALS CORP. 2004-06-17 US disclosed
US-20030176512-A1 Asymmetric disulfides and methods of using same PROLX PHARMACEUTICALS CORPORATION (CA) 2003-09-18 US disclosed
US-6552060-B1 Inhibits abnormal cellular proliferation and restores or prevents inhibition of cellular apoptosis PROLX PHARMACEUTICALS, INC. 2003-04-22 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 (4 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-20060104902-A1 Method of preselection patients for anti-VEGF, anti-HIF-1 or anti-thioredoxin therapy HIF1A, TXNRD3, HIF1AN DDAH1 737/4885ADRA2C 3891/4885ALDH1A1 1044/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY DDAH1 659/4885ADRA2C 2968/4885ALDH1A1 143/4885
US-20030176512-A1 Asymmetric disulfides and methods of using same PRDX3, PDIA5, PRDX5 DDAH1 937/4885ADRA2C 4772/4885ALDH1A1 2098/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY DDAH1 659/4885ADRA2C 2968/4885ALDH1A1 143/4885

“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.