SCHEMBL6185528

SCHEMBL6185528

CCOC(=O)CCCNC(=O)c1ccccc1NC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NR1H4 Q96RI1 2/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2D6 P10635 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HCRTR1 O43613 1/20 0.50
CRBN Q96SW2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARA Q07869 1/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
NAMPT P43490 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
SCHEMBL7325137 0.92 CRBN (0.51) ALDH1A1HSD17B10TSHRHTTHCRTR1
SCHEMBL13162369 0.85 HPGD (0.59) ALDH1A1CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL14191187 0.82 TSHR (0.75) ALDH1A1CYP2C19HSD17B10USP2TSHR
SCHEMBL5009820 0.79 MAPT (0.62) ALDH1A1CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL14271965 0.79 NAAA (0.68) ALDH1A1HSD17B10USP2TSHRHTT
SCHEMBL2577570 0.78 L3MBTL1 (0.64) ALDH1A1HSD17B10TSHRHTTHCRTR1
SCHEMBL3954494 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL7693312 0.78 HDAC3 (0.56) ALDH1A1HSD17B10HCRTR1KDM4EHPGD
SCHEMBL13468193 0.76 CHRM1 (0.55) ALDH1A1HSD17B10USP2TSHRHTT
SCHEMBL12818745 0.76 TSHR (0.53) ALDH1A1HSD17B10TSHRHTTHCRTR1

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-1193257-B1 Compounds for ceramide-mediated signal transduction UNIV CALIFORNIA (US) 2005-09-07 EP disclosed
EP-0986561-B1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2005-07-27 EP disclosed
US-6562819-B2 Antiinflammatory agents; antiproliferative agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-13 US disclosed
US-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-11-07 US disclosed
EP-1193257-A2 Compounds for ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-03 EP disclosed
US-6323201-B1 ANTIINFLAMMATORY AGENTS, ANTIPROLIFERATION AGENTS AND ENZYME INHIBITORS OF PHOSPHODIESTERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-27 US disclosed
EP-1091960-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-18 EP disclosed
WO-2000000491-A1 BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-06 WO disclosed
EP-0801568-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 1998-02-25 EP disclosed
EP-0801568-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-22 EP disclosed
WO-1996020710-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-07-11 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 (1 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-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction SMPD1, CERT1, SMPD3 ALDH1A1 3282/4885NR1H4 1988/4885CYP3A4 4363/4885

“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.