SCHEMBL1124341

SCHEMBL1124341

O=C(O)c1cocc1C(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.63
PTPN1 P18031 4/20 0.54
ALDH1A1 P00352 1/20 0.54
SMO Q99835 4/20 0.52
DEGS1 O15121 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
PTPN11 Q06124 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50

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
SCHEMBL29360103 0.83 ALDH1A1 (0.79) DHODHPTPN1ALDH1A1SMODEGS1
SCHEMBL1336628 0.83 ALDH1A1 (0.79) DHODHPTPN1ALDH1A1SMODEGS1
SCHEMBL1124246 0.77 DHODH (1.00) DHODHPTPN1ALDH1A1SMODEGS1
SCHEMBL12189443 0.76 SMO (0.67) DHODHPTPN1ALDH1A1SMO
SCHEMBL12046470 0.75 ALDH1A1 (0.66) DHODHPTPN1ALDH1A1SMOCYP3A4
SCHEMBL12046468 0.75 ALDH1A1 (0.66) DHODHPTPN1ALDH1A1SMOCYP3A4
SCHEMBL1124294 0.75 DHODH (0.56) DHODHPTPN1ALDH1A1SMODEGS1
SCHEMBL1124413 0.75 DHODH (0.56) DHODHPTPN1ALDH1A1SMODEGS1
SCHEMBL12614604 0.75 DEGS1 (0.60) DHODHPTPN1ALDH1A1SMODEGS1
SCHEMBL13927135 0.75 ALDH1A1 (0.92) DHODHALDH1A1CYP3A4CYP2C9ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO disclosed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 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 (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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885PTPN1 1923/4885ALDH1A1 517/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885PTPN1 741/4885ALDH1A1 745/4885

“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.