SCHEMBL4190883

SCHEMBL4190883

c1ccc(CSSc2ncc[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
TXN P10599 1/20 0.42
TXNRD1 Q16881 1/20 0.42
GRIN2B Q13224 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GRIN2A Q12879 1/20 0.40
HDAC1 Q13547 1/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 1/20 0.40
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL229404 0.82 HDAC1 (0.53) TAAR1GRIN2BHSD17B10GRIN2AHDAC1
Hydrochloric Acid SCHEMBL5155818 0.81 HDAC1 (0.52) TAAR1GRIN2BHSD17B10GRIN2AHDAC1
SCHEMBL3503342 0.72 TXN (0.55) TAAR1TXNTXNRD1GRIN2BMTOR
SCHEMBL29230334 0.72 HSD17B10 (0.64) HSD17B10CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL22341497 0.72
SCHEMBL7064359 0.72
SCHEMBL537743 0.69 EHMT2 (0.59) HSD17B10HDAC1CYP2D6SMN1; SMN2CYP1A2
SCHEMBL31202896 0.69 TXN (0.54) TAAR1TXNTXNRD1GRIN2BCYP2D6
SCHEMBL5032699 0.68 MTOR (0.45) TAAR1TXNTXNRD1GRIN2BGRIN2A
SCHEMBL2812932 0.68 TXN (0.45) TAAR1TXNTXNRD1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060148674-A1 Therapeutic composition BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-07-06 US disclosed
WO-2006072113-A2 THERAPEUTIC COMPOSITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-07-06 WO 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
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
US-6372772-B1 ENZYME INHIBITORS FOR REDUCTASE SYSTEMS IN CELLS PROLX PHARMACEUTICALS CORPORATION 2002-04-16 US disclosed
WO-2000006088-A2 INHIBITORS OF REDOX SIGNALING AND METHODS OF USING SAME PROLX PHARMACEUTICALS, LP (US) 2000-02-10 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-20060104902-A1 Method of preselection patients for anti-VEGF, anti-HIF-1 or anti-thioredoxin therapy HIF1A, TXNRD3, HIF1AN TAAR1 2734/4885TXN 6/4885TXNRD1 5/4885
US-20030176512-A1 Asymmetric disulfides and methods of using same PRDX3, PDIA5, PRDX5 TAAR1 4857/4885TXN 11/4885TXNRD1 5/4885

“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.