SCHEMBL3500334

SCHEMBL3500334

COC(=O)c1cc(Br)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
ATR Q13535 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
LCK P06239 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL3495317 0.87 NPC1 (0.41) ATRKDM4EALDH1A1NPSR1MAPT
SCHEMBL21930986 0.87 ALDH1A1 (0.47) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL1681287 0.86 IKBKB (0.39) HSD17B10KDM4EALDH1A1MAPTMAPK1
SCHEMBL22774379 0.82 CA1 (0.44) LCKSMN1; SMN2MEN1KMT2ACA1
SCHEMBL13348132 0.81 HSD17B10 (0.54) HSD17B10ATRKDM4EALDH1A1HPGD
SCHEMBL26164994 0.79 LCK (0.37) LCKRXFP1
SCHEMBL1563630 0.79 CHEK1 (0.45) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL5425234 0.78 KDM4E (0.36) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL5728164 0.78 CUL4A (0.38) KDM4EALDH1A1LCKCA1CA2
SCHEMBL3496455 0.78 ALDH1A1 (0.58) HSD17B10KDM4EALDH1A1HPGDNPSR1

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
WO-2023101556-A1 NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-06-08 WO disclosed
WO-2023101556-A1 NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-06-08 WO disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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 (4 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 HSD17B10 232/4885ATR 410/4885KDM4E 1496/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC HSD17B10 92/4885ATR 207/4885KDM4E 1730/4885
US-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP HSD17B10 2854/4885ATR 3031/4885KDM4E 2012/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A HSD17B10 1307/4885ATR 2735/4885KDM4E 939/4885

“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.