SCHEMBL1124079

SCHEMBL1124079

COc1ccccc1-c1ccc(NC(=O)c2ccsc2C(=O)O)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 1.00
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
GRM1 Q13255 2/20 0.47
PNLIP P16233 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GRM4 Q14833 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GRM5 P41594 1/20 0.44

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
SCHEMBL1124289 0.83 DHODH (0.71) DHODHMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL252626 0.78 DHODH (0.67) DHODHGRM4
SCHEMBL1124227 0.75 DHODH (1.00) DHODHMEN1KMT2ATSHR
SCHEMBL4387203 0.74 DHODH (0.59) DHODHMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4386279 0.74 DHODH (0.59) DHODHMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL31540409 0.73 DHODH (0.55) DHODHHPGDMEN1KMT2AHSD17B10
SCHEMBL1549482 0.73 DHODH (0.55) DHODHHPGDMEN1KMT2AHSD17B10
SCHEMBL2186276 0.72 DHODH (0.82) DHODHMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4254938 0.71 KCNK3 (0.71) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1810535 0.70 DHODH (1.00) DHODHMAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed
EP-2283898-A1 Aromatic compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2011-02-16 EP disclosed
US-7365094-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-04-29 US disclosed
US-20070224672-A1 Method of Identifying Inhibitors of DHODH LEBAN JOHANN 2007-09-27 US disclosed
US-7247736-B2 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-07-24 US disclosed
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 US disclosed
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP disclosed
EP-1578741-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-09-28 EP disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 WO disclosed
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 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 (3 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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885MAPT 3332/4885SMN1; SMN2 4472/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885MAPT 110/4885SMN1; SMN2 25/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885MAPT 4614/4885SMN1; SMN2 4564/4885

“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.