SCHEMBL977611

SCHEMBL977611

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.36
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 2/20 0.33
CKS1B P61024 1/20 0.33
SKP2 Q13309 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 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
SCHEMBL1739187 0.90 SCN9A (0.37) P2RX7ALDH1A1LMNAL3MBTL1SCN9A
SCHEMBL547078 0.86 ALDH1A1 (0.44) KMT2AALDH1A1MEN1EPHX2L3MBTL1
SCHEMBL28975362 0.81 P2RX7 (0.33) P2RX7KMT2AALDH1A1MEN1NPC1
Tert-Butylamine SCHEMBL2245617 0.79 ALDH1A1 (0.42) KMT2AALDH1A1MEN1L3MBTL1SCN9A
SCHEMBL1463078 0.76 P2RX7 (0.37) P2RX7KMT2AALDH1A1MEN1NPC1
SCHEMBL242790 0.76 P2RX7 (0.36) P2RX7KMT2AALDH1A1MEN1FABP4
SCHEMBL1348804 0.75 TSHR (0.40)
SCHEMBL1079674 0.74 ALDH1A1 (0.40) P2RX7KMT2AALDH1A1MEN1EPHX2
SCHEMBL3024621 0.74 SCN9A (0.39) KMT2AALDH1A1MEN1LMNAL3MBTL1
SCHEMBL547017 0.74 BCAT1 (0.36) KMT2AALDH1A1MEN1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956803-B2 Sulfonium salt, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-17 US disclosed
US-8288077-B2 Chemically amplified resist composition and salt employed therein SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110020749-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND SALT EMPLOYED THEREIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 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-20110020749-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND SALT EMPLOYED THEREIN RER1, RARA, RARG P2RX7 2085/4885KMT2A 527/4885ALDH1A1 2115/4885

“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.