SCHEMBL17100113

SCHEMBL17100113

COCCOc1ccc(C(O)c2ccsc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPT P10636 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ACACB O00763 2/20 0.34
FFAR1 O14842 1/20 0.34
PPARA Q07869 1/20 0.34
ACACA Q13085 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL17100252 0.93 GPR88 (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17111330 0.81 TSHR (0.43) BRD4L3MBTL1ELANE
SCHEMBL17100236 0.80 LTA4H (0.35) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7267685 0.80 LTA4H (0.57) LTA4HBRD4CREBBPMAPTL3MBTL1
SCHEMBL17100290 0.77 PPARA (0.36) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8417793 0.76 LTA4H (0.68) LTA4HKDM4E
SCHEMBL18682251 0.76 MAPT (0.44) LTA4HMAPTACACBKDM4ERECQL
SCHEMBL8685113 0.75 LTA4H (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31003208 0.74 ACACB (0.43) MAPTACACBKDM4ERECQLCYP2D6
SCHEMBL1241584 0.73 KDM4E (0.35) LTA4HMAPTPPARAKDM4ERECQL

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 5 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
US-20150079714-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-03-19 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 (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 LTA4H 2821/4885BRD4 945/4885CREBBP 4046/4885

“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.