SCHEMBL469124

SCHEMBL469124

CCOC(=O)c1sc2c(Cl)ncnc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 6/20 0.43
GAA P10253 4/20 0.43
NOTUM Q6P988 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 4/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL16011505 0.81 NOTUM (0.48) KDM4ENOTUMLMNAALDH1A1TSHR
SCHEMBL438100 0.81 NOTUM (0.45) NOTUMALDH1A1MAPTNPC1RAB9A
SCHEMBL16011606 0.80 SIRT2 (0.44) HSD17B10GAANOTUMALDH1A1MAPT
SCHEMBL30959375 0.78 MAPT (0.53) HSD17B10KDM4EGAAALDH1A1MAPT
SCHEMBL469123 0.78 NOTUM (0.53) HSD17B10KDM4EGAANOTUMLMNA
SCHEMBL2368890 0.78 HSD17B10 (0.70) HSD17B10KDM4EGAALMNAALDH1A1
SCHEMBL31541785 0.73 KMT2A (0.38) HSD17B10KDM4EGAANOTUMALDH1A1
SCHEMBL3005562 0.72 SIRT2 (0.44) HSD17B10KDM4EALDH1A1MAPTNPC1
SCHEMBL16274616 0.72 CA12 (0.48) HSD17B10KDM4EGAALMNAALDH1A1
SCHEMBL2185588 0.71 HSD17B10 (0.57) HSD17B10KDM4EGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 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 (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-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 HSD17B10 577/4885KDM4E 406/4885GAA 17/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 HSD17B10 577/4885KDM4E 406/4885GAA 17/4885

“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.