SCHEMBL631947

SCHEMBL631947

Nc1ccc(F)c(C2OCCO2)c1F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.30
CASP6 P55212 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL25205946 0.74 ABCB1 (0.36) ALDH1A1
SCHEMBL31015995 0.74 ABCB1 (0.36) ALDH1A1
SCHEMBL16746939 0.73
SCHEMBL16740703 0.70 ATM (0.40) CASP6ALDH1A1
SCHEMBL11034392 0.69 MEN1 (0.40) NSD2CASP6ALDH1A1
SCHEMBL19134059 0.69 HTR2C (0.38) NSD2CASP6
SCHEMBL24834540 0.69 CYP11B1 (0.31)
SCHEMBL24834496 0.68
SCHEMBL22445367 0.67
SCHEMBL20441298 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015075749-A1 NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB LAURUS LABS PRIVATE LIMITED (IN) 2015-05-28 WO disclosed
WO-2015075749-A1 NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB LAURUS LABS PRIVATE LIMITED (IN) 2015-05-28 WO disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R NSD2 532/4885CASP6 3024/4885ALDH1A1 631/4885

“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.