SCHEMBL329927

SCHEMBL329927

CCOC(=O)c1sc(NC(=O)c2cc(Br)ccc2O)nc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.54
SMN1; SMN2 Q16637 8/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29403662 0.91 SMN1; SMN2 (0.48) DHODHSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL330104 0.91 SMN1; SMN2 (0.48) DHODHSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL329799 0.84 MEN1 (0.64) DHODHSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL330258 0.84 TMPRSS4 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL330478 0.82 TMPRSS4 (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL331430 0.82 MAPT (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL330267 0.82 SMN1; SMN2 (0.47) DHODHSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL330465 0.77 TMPRSS4 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL3475608 0.75 TMPRSS4 (0.52) SMN1; SMN2MAPT
SCHEMBL330131 0.74 MEN1 (0.67) DHODHSMN1; SMN2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 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 (13 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA DHODH 1757/4885SMN1; SMN2 4106/4885ALDH1A1 2096/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 DHODH 3232/4885SMN1; SMN2 4693/4885ALDH1A1 364/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 DHODH 2873/4885SMN1; SMN2 4853/4885ALDH1A1 97/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT DHODH 3303/4885SMN1; SMN2 4704/4885ALDH1A1 296/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DHODH 3351/4885SMN1; SMN2 4852/4885ALDH1A1 479/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DHODH 3487/4885SMN1; SMN2 4859/4885ALDH1A1 563/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DHODH 3487/4885SMN1; SMN2 4859/4885ALDH1A1 563/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA DHODH 3164/4885SMN1; SMN2 975/4885ALDH1A1 425/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DHODH 3487/4885SMN1; SMN2 4859/4885ALDH1A1 563/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 DHODH 4666/4885SMN1; SMN2 4879/4885ALDH1A1 1959/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR DHODH 3102/4885SMN1; SMN2 4695/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR DHODH 3283/4885SMN1; SMN2 4709/4885ALDH1A1 362/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB DHODH 3795/4885SMN1; SMN2 4820/4885ALDH1A1 1025/4885

“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.