SCHEMBL968436

SCHEMBL968436

O=C(O)c1ccccc1C[S]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.59
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.53
HMGB1 P09429 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HPGD P15428 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HIF1A Q16665 2/20 0.47
CYP2C9 P11712 1/20 0.47
TP53 P04637 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
2-Carboxybenzeneacetic Acid SCHEMBL4828304 0.84 BCAT2 (0.59) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL1756158 0.82 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRHMGB1
2-Carboxybenzeneacetic Acid SCHEMBL1891118 0.82 AKR1B1 (0.61) FOLH1ALDH1A1ALOX15TSHRHMGB1
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.82 AKR1B1 (0.61) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL69352 0.81 TSHR (0.68) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL30365583 0.81 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL70392 0.81 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL5609604 0.81 AKR1C3 (0.55) ALDH1A1TSHRMAPTGAAAKR1C3
2-Carboxybenzeneacetic Acid SCHEMBL3975685 0.80 BCAT2 (0.59) FOLH1ALDH1A1ALOX15TSHRHMGB1
Water SCHEMBL28844415 0.80 FOLH1 (0.57) FOLH1ALDH1A1ALOX15TSHRHMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US claimed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO claimed
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
US-8791155-B2 Chroman derivatives EDISON PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US disclosed
US-20120088783-A1 CHROMAN DERIVATIVES AMPERE LIFE SCIENCES, INC. (US) 2012-04-12 US disclosed
US-8044097-B2 Chroman derivatives AMPERE LIFE SCIENCES, INC. (US) 2011-10-25 US disclosed
US-7875607-B2 Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester AMPERE LIFE SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20090192179-A1 CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-7514461-B2 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis EDISON PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-0627659-A1 Stabilizers for photothermographic materials with nitrile blocking groups MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-12-07 EP disclosed
US-5358843-A Deblocking with fluoride ions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-25 US disclosed
US-5300420-A Resistant to thermal release during shelf aging MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-04-05 US disclosed
US-5298390-A Heterocyclic sulfides, sulfoxides and sulfones, post-processing stabilization of unreacted silver halide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-29 US disclosed
EP-0588717-A2 Post-processing stabilizers for photothermographic articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-03-23 EP disclosed
US-5175081-A Post-processsing stabilization of photothermographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-12-29 US disclosed
US-5158866-A POST-PROCESSING STABILIZATION OF PHOTOTHERMOGRAPHIC EMULSIONS WITH AMIDO COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-27 US disclosed
EP-0480568-A2 Post-processing stabilization of photothermographic emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-15 EP disclosed
EP-0473351-A2 Post-processing stabilization of photothermographic emulsions with amido compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-04 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 (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-20120088783-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM FOLH1 4773/4885ALDH1A1 986/4885ALOX15 7/4885
US-20090192179-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM FOLH1 4773/4885ALDH1A1 986/4885ALOX15 7/4885
US-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF FOLH1 3243/4885ALDH1A1 4059/4885ALOX15 240/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 FOLH1 3222/4885ALDH1A1 792/4885ALOX15 782/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 FOLH1 3222/4885ALDH1A1 792/4885ALOX15 782/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS FOLH1 3755/4885ALDH1A1 926/4885ALOX15 1796/4885

“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.