SCHEMBL4597627

SCHEMBL4597627

CCCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
HRH4 Q9H3N8 1/20 0.40
GABRB3 P28472 1/20 0.39
IDO1 P14902 2/20 0.38
DAO P14920 1/20 0.37
PDE2A O00408 1/20 0.37
PIEZO1 Q92508 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KIF11 P52732 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL27821151 0.85 HTR2A (0.44) PPARGPPARAPPARDGABRB3IDO1
SCHEMBL17742275 0.85 ESR1 (0.40) IDO1DAOPDE2APIEZO1CYP3A4
SCHEMBL27705804 0.83 PTPN1 (0.39) IDO1DAOPIEZO1CYP3A4CYP2D6
SCHEMBL27012358 0.83 CYP2D6 (0.40) CTSSCTSKCYP2D6ALDH1A1LMNA
SCHEMBL18586260 0.83 IDO1 (0.39) HRH4IDO1DAOPIEZO1CYP3A4
SCHEMBL1512343 0.83 NR1H2 (0.46)
SCHEMBL25977970 0.82 PPARG (0.43) PPARGPPARAPPARDHRH4IDO1
SCHEMBL3410622 0.81 IDO1 (0.42) IDO1DAOPDE2APIEZO1CYP3A4
Ammonia Solution, Strong SCHEMBL4339853 0.81 PPARG (0.42) PPARGPPARAPPARDHRH4IDO1
SCHEMBL138275 0.81 HTR2A (0.38) PPARGPPARAPPARDIDO1PDE2A

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
CN-108349957-A Sulfonamide compounds as modulators of voltage-gated sodium channels 鲁平有限公司 2018-07-31 CN disclosed
US-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP disclosed
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 PPARG 157/4885PPARA 164/4885PPARD 576/4885

“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.