SCHEMBL1374464

SCHEMBL1374464

O=c1cc(-c2ccccc2)sc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
ALOX15 P16050 2/20 0.69
MAPK1 P28482 2/20 0.69
TP53 P04637 2/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
NPC1 O15118 1/20 0.69
MAPT P10636 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
RAB9A P51151 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CYP1A1 P04798 3/20 0.58
CYP1B1 Q16678 3/20 0.58
STS P08842 1/20 0.56
MAPK3 P27361 1/20 0.52
MAP2K1 Q02750 1/20 0.52
TNKS O95271 1/20 0.49

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
SCHEMBL311940 0.86 ALDH1A1 (0.66) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL311821 0.82 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL30710192 0.82 ALDH1A1 (0.65) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL2305474 0.81 STS (0.57) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL17786382 0.81 STS (0.60) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL8787468 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL10714283 0.79 STS (0.55) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL311573 0.77 ALDH1A1 (0.71) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL13299937 0.77 ESR1 (0.50) ALDH1A1ALOX15MAPK1TP53HPGD
SCHEMBL5310371 0.77 RAB9A (0.44) ALDH1A1ALOX15MAPK1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288161-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2011-11-24 US claimed
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 EP claimed
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US claimed
WO-2009052411-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-04-23 WO claimed
US-7498047-B2 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-03-03 US claimed
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-11 US claimed
EP-1931345-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2008-06-18 EP claimed
EP-1525177-B1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-06-27 EP claimed
EP-1519908-B1 COMPOSITION BASED ON SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-06-13 EP claimed
WO-2007024741-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-03-01 WO claimed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US claimed
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-03-16 US claimed
EP-1562563-A4 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH MED & RES CENTER (US) 2005-12-28 EP claimed
EP-1562563-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2005-08-17 EP claimed
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2005-08-04 US claimed
WO-2004042020-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2004-05-21 WO claimed
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-05-06 US claimed
US-5399584-A Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs THE PROCTER & GAMBLE COMPANY (US) 1995-03-21 US claimed
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 EP disclosed
US-5399584-A Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs THE PROCTER & GAMBLE COMPANY (US) 1995-03-21 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 (6 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-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract ABCC1, CFTR, ABCC2 ALDH1A1 401/4885ALOX15 2309/4885MAPK1 2126/4885
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS ABCC1, SLC47A2, SLC47A1 ALDH1A1 215/4885ALOX15 2183/4885MAPK1 2928/4885
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 ALDH1A1 355/4885ALOX15 101/4885MAPK1 261/4885
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease ABCC2, CFTR, ABCC1 ALDH1A1 1178/4885ALOX15 2858/4885MAPK1 1402/4885
US-20110288161-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS ABCC1, SLC47A2, SLC47A1 ALDH1A1 215/4885ALOX15 2183/4885MAPK1 2928/4885
US-20050171149-A1 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof BRCA1, LOXL1, APOL1 ALDH1A1 518/4885ALOX15 7/4885MAPK1 401/4885

“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.