SCHEMBL10242354

SCHEMBL10242354

CCOC(=O)c1sc(C)nc1C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
HPGD P15428 3/20 0.72
DHODH Q02127 3/20 0.54
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.45
CDC7 O00311 3/20 0.44
DBF4 Q9UBU7 3/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL13997479 0.86 ALDH1A1 (0.55) ALDH1A1HPGDDHODHNPC1CYP1A2
SCHEMBL2145779 0.85 ALDH1A1 (0.54) ALDH1A1HPGDNPC1CYP1A2HSD17B10
SCHEMBL10820916 0.84 ALDH1A1 (0.68) ALDH1A1HPGDDHODHNPC1CYP1A2
SCHEMBL289519 0.84 ALDH1A1 (1.00) ALDH1A1HPGDDHODHNPC1CYP1A2
SCHEMBL13997480 0.83 ALDH1A1 (0.50) ALDH1A1HPGDDHODHNPC1HSD17B10
SCHEMBL2498385 0.79 NPC1 (0.72) ALDH1A1HPGDDHODHNPC1CYP1A2
SCHEMBL1194336 0.77 TRPM8 (0.59) ALDH1A1HPGDNPC1CYP1A2HSD17B10
SCHEMBL9256013 0.77 ALDH1A1 (0.70) ALDH1A1HPGDNPC1CYP1A2HSD17B10
SCHEMBL9643932 0.77 ALDH1A1 (0.46) ALDH1A1HPGDNPC1GAATSHR
SCHEMBL15182513 0.76 NPC1 (0.52) ALDH1A1HPGDDHODHNPC1CYP1A2

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 16 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-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-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-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-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 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 (9 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ALDH1A1 364/4885HPGD 80/4885DHODH 3232/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 479/4885HPGD 272/4885DHODH 3351/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885HPGD 238/4885DHODH 3487/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885HPGD 238/4885DHODH 3487/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA ALDH1A1 425/4885HPGD 647/4885DHODH 3164/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885HPGD 238/4885DHODH 3487/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 340/4885HPGD 99/4885DHODH 3102/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 362/4885HPGD 103/4885DHODH 3283/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ALDH1A1 140/4885HPGD 57/4885DHODH 2272/4885

“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.