SCHEMBL3786558

SCHEMBL3786558

CC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 2/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
Adamantane SCHEMBL3794380 0.82 MEN1 (0.31) KMT2AHTTMEN1TSHRL3MBTL1
SCHEMBL3790171 0.76 KDM4E (0.40) KMT2AALDH1A1HPGDGAALMNA
SCHEMBL3789669 0.76 HSD11B1 (0.34) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL3794372 0.74 MEN1 (0.39) KMT2AHTTMEN1ALDH1A1LMNA
SCHEMBL501906 0.74 KMT2A (0.36) KMT2AHTTMEN1TSHRL3MBTL1
SCHEMBL3791468 0.74 HSD11B1 (0.36) KMT2AHTTMEN1TSHRCYP2C19
SCHEMBL3786564 0.73 HSD11B1 (0.39) KMT2AHTTMEN1TSHRL3MBTL1
SCHEMBL494069 0.73 CA2 (0.37) TSHRALDH1A1HSD11B1CA12CA1
SCHEMBL8643860 0.71 ELANE (0.43) CYP2C19CYP3A4ALDH1A1CYP2C9HPGD
SCHEMBL8649149 0.71 ELANE (0.43) CYP2C19CYP3A4ALDH1A1CYP2C9HPGD

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-8283104-B2 Sulfonate and its derivative, photosensitive acid generator, and resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-19 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-20100209827-A1 NOVEL SULFONATE AND ITS DERIVATIVE, PHOTOSENSITIVE ACID GENERATOR, AND RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME DAP3, MRPS23, ASIC3 KMT2A 2736/4885HTT 2106/4885MEN1 4475/4885

“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.