SCHEMBL20009236

SCHEMBL20009236

Cc1cccc(CC(=O)OC(CS(=O)(=O)O)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ORAI1 Q96D31 2/20 0.36
MAOB P27338 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
P2RX4 Q99571 1/20 0.34
SLC7A5 Q01650 1/20 0.34

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
SCHEMBL20009235 0.86 CETP (0.40) TSHRKMT2AMEN1MAOB
SCHEMBL20012805 0.85 MEN1 (0.48) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL18775770 0.84 TSHR (0.50) TSHRKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL19967702 0.77 ABL1 (0.36) KMT2AMEN1
SCHEMBL21287013 0.75 ALDH1A1 (0.44) POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10792593 0.74 TSHR (0.67) CTBP2POLBTSHRKMT2AMEN1
SCHEMBL11553441 0.73 CTBP2 (0.56) CTBP2POLBKMT2AL3MBTL1MAOB
SCHEMBL18775940 0.73 NLRP3 (0.34) POLBTSHRKMT2AMEN1ALDH1A1
SCHEMBL24452995 0.71 MGLL (0.33) TSHR
SCHEMBL18775773 0.71 TDP1 (0.41) KMT2AL3MBTL1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SLC9A1, FN1, EPCAM CTBP2 2434/4885POLB 3653/4885TSHR 1721/4885

“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.