SCHEMBL4727744

SCHEMBL4727744

O=C1OC(Cl)(c2ccccc2F)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR55 Q9Y2T6 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
TYMS P04818 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL1823331 0.79 CFTR (0.46) CFTRGOPCGAAPKMLMNA
SCHEMBL4726170 0.78 CFTR (0.61) CFTRGOPCGAAPKMLMNA
SCHEMBL4726524 0.76 CFTR (0.46) CFTRGOPCHCAR2GAAPKM
SCHEMBL1820782 0.74 CYP2D6 (0.48) CFTRGOPCGAAPKMLMNA
SCHEMBL11011777 0.73 CFTR (0.44) CFTRGOPCLMNACYP3A4SMN1; SMN2
SCHEMBL29963323 0.72 CFTR (0.53) CFTRGOPCGAAPKMLMNA
SCHEMBL2892505 0.72 CFTR (0.53) CFTRGOPCGAAPKMLMNA
SCHEMBL11001594 0.71 CFTR (0.41) CFTRGOPCHCAR2GAAPKM
SCHEMBL28995190 0.69 CFTR (0.50) CFTRGOPCGAAPKMLMNA
SCHEMBL17922501 0.69 CFTR (0.55) CFTRGOPCGAAPKMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-4505921-A Sulfonylurea compounds and their use in treating diabetes ADIR, S.A.R.L. (FR) 1985-03-19 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN CFTR 3670/4885GOPC 4164/4885HCAR2 1759/4885

“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.