SCHEMBL17545698

SCHEMBL17545698

C=Cc1ccc(S(=O)(=O)N(C)S(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL17545699 0.91 SCN9A (0.36) SCN9AALDH1A1
SCHEMBL17545701 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1
SCHEMBL17545704 0.80 CA2 (0.36) SCN9AKMT2ASCN5AALDH1A1MEN1
SCHEMBL12674667 0.80 ALDH1A1 (0.42) SCN9AKMT2ASCN5AALDH1A1MEN1
SCHEMBL17545696 0.79 TSHR (0.36) MMP2MMP9
SCHEMBL17545746 0.78 MMP3 (0.36) SCN9AKMT2AALDH1A1MEN1
SCHEMBL17545747 0.78 TDP1 (0.40) KMT2AALDH1A1MMP9MEN1L3MBTL1
SCHEMBL12667071 0.78 ALDH1A1 (0.42) SCN9AKMT2ASCN5AALDH1A1MEN1
SCHEMBL17545743 0.75 MMP2 (0.30) MMP2MMP9
SCHEMBL17540310 0.74 HDAC6 (0.45) SCN9AKMT2ASCN5AALDH1A1MEN1

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-20160052877-A1 SALT, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-25 — — 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-20160052877-A1 SALT, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, AFF1, FRG1 SCN9A 1125/4885KMT2A 817/4885SCN5A 884/4885

“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.

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