SCHEMBL13399666

SCHEMBL13399666

Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL13399230 0.94 PTPN1 (0.33) PTPN1KMT2AATMFFAR1FFAR4
SCHEMBL12603643 0.89 PTPN1 (0.33) PTPN1KMT2AATMFFAR1FFAR4
SCHEMBL98141 0.89 KMT2A (0.34) PTPN1KMT2AATMFFAR1FFAR4
SCHEMBL12603641 0.84 FGFR1 (0.35) PTPN1KMT2AATMFFAR1FFAR4
SCHEMBL13399680 0.83 CYP1A2 (0.41) SMN1; SMN2MAPT
SCHEMBL13399575 0.82 MAPT (0.37) ATMMAPT
SCHEMBL13399660 0.80 CASP3 (0.45) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13399681 0.79 KMT2A (0.33) PTPN1KMT2AATMFFAR1FFAR4
SCHEMBL10169610 0.78 SCN8A (0.34) KMT2AATMFFAR4MEN1MAPT
SCHEMBL12603650 0.77 MGLL (0.37) PTPN1KMT2AFFAR1FFAR4MMP1

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-8541157-B2 Resist composition, method of forming resist pattern, compound and acid generator including the same TOKYO OHKA KOGYO CO., LTD. (JP) 2013-09-24 US disclosed
US-20100081088-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND AND ACID GENERATOR INCLUDING THE SAME TOKYO OHKA KOGYO CO., LTD. (JP) 2010-04-01 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-20100081088-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND AND ACID GENERATOR INCLUDING THE SAME ASIC1, RER1, GRIN1 PTPN1 4335/4885KMT2A 2329/4885ATM 2353/4885

“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.