SCHEMBL17100252

SCHEMBL17100252

COCCCOc1ccc(C(O)c2ccsc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.39
LTA4H P09960 4/20 0.38
ACACB O00763 2/20 0.36
PPARA Q07869 1/20 0.36
SLC2A1 P11166 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
FFAR1 O14842 1/20 0.34
FURIN P09958 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL17100113 0.93 LTA4H (0.39) LTA4HACACBPPARACHRNB2CHRNB4
SCHEMBL17100290 0.81 PPARA (0.36) LTA4HPPARASLC2A1CHRNB2CHRNB4
SCHEMBL17111330 0.80 TSHR (0.43) TDP1L3MBTL1
SCHEMBL17100236 0.77 LTA4H (0.35) LTA4HPPARACHRNB2CHRNB4CHRNA3
SCHEMBL8417793 0.75 LTA4H (0.68) LTA4H
SCHEMBL8685113 0.74 LTA4H (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13303326 0.72 LTA4H (0.55) LTA4HSLC2A1
SCHEMBL7267685 0.72 LTA4H (0.57) GPR88LTA4HL3MBTL1
SCHEMBL5104539 0.72 ALOX5 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL18682252 0.72 NR5A1 (0.50) GPR88LTA4HSLC2A1POLBTDP1

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-3119760-A1 PIPERIDINE-DIONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 GPR88 629/4885LTA4H 2821/4885ACACB 4821/4885

“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.