SCHEMBL1787702

SCHEMBL1787702

CC(C)COCc1c(F)c(F)c(CO)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33

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
SCHEMBL19795489 0.87 PTPN1 (0.33) PTPN1
SCHEMBL1783224 0.82 TAS1R3 (0.34) PTPN1
SCHEMBL8079099 0.80
SCHEMBL1785703 0.77 ALDH1A1 (0.33)
SCHEMBL19795484 0.76 PTPN1 (0.39) PTPN1
SCHEMBL1784190 0.75 GCGR (0.30)
SCHEMBL1785845 0.73 HSD17B10 (0.31) PTPN1
SCHEMBL19795471 0.73 PTPN1 (0.37) PTPN1
SCHEMBL359266 0.72 GCGR (0.39)
SCHEMBL1783369 0.71 TSHR (0.43)

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
US-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US disclosed
EP-1975147-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-01 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 (2 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-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND ADH1C, ADH1A, CYP2E1 PTPN1 3998/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 PTPN1 2508/4885

“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.