SCHEMBL7863497

SCHEMBL7863497

CC(C)(C)c1c(F)c(F)c(F)c(F)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 3/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
GFER P55789 1/20 0.31
HTT P42858 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
SCHEMBL11930064 0.89 GLRA3 (0.36) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL11930063 0.88 GLRA3 (0.39) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL30777257 0.80 MEN1 (0.36) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL1635303 0.80 MEN1 (0.36) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL5076184 0.79 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL29671481 0.77 MEN1 (0.33) GLRA3GLRBMEN1KMT2ASMN1; SMN2
SCHEMBL28611205 0.77 CYP3A4 (0.34) GLRA3GLRB
SCHEMBL27700963 0.76 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL10386157 0.75 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL14989129 0.75 GLRA3 (0.46) GLRA3GLRBMEN1KMT2ATSHR

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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-6333431-B1 ALKYLATING TETRAFLUOROBENZOIC ACID OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-1114812-A1 PROCESSES FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-07-11 EP 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 GLRA3 3599/4885GLRB 3421/4885MEN1 2302/4885

“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.