SCHEMBL1060211

SCHEMBL1060211

CCOC(=O)c1sc2c(c1O)c(=O)n(C)c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 5/20 0.61
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 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
SCHEMBL1059735 0.86 TSHR (0.59) HSD17B10TSHRALDH1A1KDM4ENPC1
SCHEMBL1060661 0.86 KDM4E (0.65) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL12932652 0.84 NOD2 (0.48) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL1062659 0.83 HSD17B10 (0.55) HSD17B10TSHRALDH1A1KDM4ENPC1
SCHEMBL1056833 0.82 KDM4E (0.50) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL1062830 0.82 HSD17B10 (0.54) HSD17B10TSHRALDH1A1KDM4ENPC1
SCHEMBL1056831 0.82 TSHR (0.54) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL1060496 0.80 FEN1 (0.56) ALDH1A1KDM4EHTTSMN1; SMN2MEN1
SCHEMBL1059543 0.80 ALDH1A1 (0.46) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL1062847 0.79 TSHR (0.51) HSD17B10TSHRALDH1A1KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 HSD17B10 256/4885TSHR 340/4885ALDH1A1 745/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 HSD17B10 222/4885TSHR 383/4885ALDH1A1 776/4885

“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.