SCHEMBL1047516

SCHEMBL1047516

CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SCN9A Q15858 2/20 0.38
PDK2 Q15119 4/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
POLB P06746 1/20 0.33
MDH1 P40925 1/20 0.33
MDH2 P40926 1/20 0.33
ABL1 P00519 1/20 0.33
TSHR P16473 1/20 0.33
RIN1 Q13671 1/20 0.33
P2RX7 Q99572 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
SCHEMBL1079674 0.89 ALDH1A1 (0.40) L3MBTL1SCN9AALDH1A1P2RX7
SCHEMBL685363 0.86 ALDH1A1 (0.39) L3MBTL1SCN9AALDH1A1
SCHEMBL525455 0.86 SCN9A (0.37) L3MBTL1SCN9APDK2ALDH1A1LMNA
SCHEMBL30029494 0.86 SCN9A (0.37) L3MBTL1SCN9APDK2ALDH1A1LMNA
SCHEMBL1059137 0.84 L3MBTL1 (0.40) L3MBTL1SCN9AALDH1A1LMNADPP8
SCHEMBL29721445 0.84 SCN9A (0.35) L3MBTL1SCN9AALDH1A1MDH1MDH2
SCHEMBL30361501 0.80 SCN9A (0.34) L3MBTL1SCN9A
SCHEMBL12764787 0.79 L3MBTL1 (0.38) L3MBTL1SCN9APDK2ALDH1A1LMNA
SCHEMBL685208 0.79 ALDH1A1 (0.39) L3MBTL1SCN9AALDH1A1
SCHEMBL685892 0.78 ALDH1A1 (0.37) L3MBTL1SCN9AALDH1A1LMNAMDH1

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-9221785-B2 Salt and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-29 US disclosed
US-8609317-B2 Salt and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-17 US disclosed
US-20110014567-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-20 US disclosed
US-20100316951-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-16 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 (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-20100316951-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME THEM6, INTS6, CRY1 L3MBTL1 481/4885SCN9A 2523/4885PDK2 4732/4885
US-20110014567-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME XPA, XPOT, ERCC4 L3MBTL1 3035/4885SCN9A 1863/4885PDK2 3995/4885

“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.