SCHEMBL15957682

SCHEMBL15957682

Cc1cc(C(=O)O)cc(C(C)(O)C(F)(F)F)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
PKM P14618 1/20 0.38
HSP90AA1 P07900 1/20 0.37
AR P10275 2/20 0.37
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NOTUM Q6P988 1/20 0.33
TTR P02766 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 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
SCHEMBL13199118 0.85 TPMT (0.39) TPMTPKMARABCC9ABCC8
SCHEMBL15957668 0.77 AR (0.42) ARALOX15HSD17B10TSHR
SCHEMBL13199127 0.77 TPMT (0.38) TPMTPKMHCAR1GPR35ALDH1A1
SCHEMBL15957676 0.75 AR (0.41) HSP90AA1ARPDK1PDK2PDK3
SCHEMBL15957700 0.74 AR (0.40) ARALDH1A1TSHR
SCHEMBL23704913 0.73 TPMT (0.38) TPMTPKMHSP90AA1HCAR1GPR35
SCHEMBL1572119 0.73 TPMT (0.59) TPMTPKMHCAR1GPR35ALDH1A1
SCHEMBL15831660 0.72 AR (0.39) ARESR1
SCHEMBL15957699 0.72 NOTUM (0.39) HSP90AA1ARALDH1A1NOTUMHSD17B10
SCHEMBL15745649 0.72 ABCC9 (0.37) HSP90AA1ARABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 TPMT 3768/4885PKM 1060/4885HSP90AA1 1495/4885

“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.