SCHEMBL3156002

SCHEMBL3156002

[CH2]COCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.63
DAO P14920 1/20 0.41
FFAR1 O14842 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PDE2A O00408 3/20 0.38
AGXT P21549 2/20 0.37
MPL P40238 1/20 0.36
NAAA Q02083 1/20 0.35
TACR1 P25103 2/20 0.34

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
SCHEMBL3149265 0.86 IDO1 (0.63) IDO1PDE2ATACR1
SCHEMBL3153617 0.83 TACR1 (0.46) IDO1DAOSLC6A4TACR1
SCHEMBL12516416 0.82 IDO1 (0.67) IDO1DAOFFAR1SLC6A4SLC6A2
SCHEMBL145556 0.80 IDO1 (0.58) IDO1DAOFFAR1SLC6A4SLC6A2
SCHEMBL16214946 0.79 IDO1 (0.67) IDO1DAOFFAR1SLC6A4SLC6A2
SCHEMBL3156367 0.78 IDO1 (0.60) IDO1DAOAGXT
SCHEMBL5042108 0.78 IDO1 (0.56) IDO1DAOFFAR1SLC6A4SLC6A2
SCHEMBL1007334 0.75 IDO1 (0.54) IDO1DAOFFAR1SLC6A4SLC6A2
SCHEMBL28524701 0.75 IDO1 (0.61) IDO1DAOFFAR1SLC6A4SLC6A2
SCHEMBL12964490 0.75 IDO1 (0.61) IDO1DAOFFAR1SLC6A4SLC6A2

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
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
CN-101516878-A Thiadiazole compound and use thereof SUMITOMO CHEMICAL CO (JP) 2009-08-26 CN disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 IDO1 1716/4885DAO 1418/4885FFAR1 554/4885

“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.