SCHEMBL6483488

SCHEMBL6483488

CC(C)(C)c1ccc(-c2cc(OS(=O)(=O)CCCC(F)(F)F)ccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCR9 P51686 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ MGAT2 Q10469 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL6474640 0.73 CNR2 (0.43) CNR2CNR1MEN1GPR183KMT2A
SCHEMBL503161 0.67 CNR2 (0.34) CNR2CNR1MEN1GPR183KMT2A
SCHEMBL361274 0.66 KIF11 (0.50) KMT2ATGFBR1NPSR1NPC1ALDH1A1
SCHEMBL29904515 0.66 KIF11 (0.50) KMT2ATGFBR1NPSR1NPC1ALDH1A1
SCHEMBL21049961 0.64 KIF11 (0.53) KMT2ATGFBR1NPSR1NPC1ALDH1A1
SCHEMBL4957583 0.64 CA1 (0.53) MEN1KMT2ALMNACA1CA2
SCHEMBL25561945 0.64 HRH3 (0.48) MEN1KMT2AMGAT2NPSR1
SCHEMBL16903663 0.64 HDAC1 (0.46) TGFBR1TDO2TRPV1KDM4C
SCHEMBL28770063 0.63 CA1 (0.51) MEN1KMT2ALMNACA1CA2
SCHEMBL15907030 0.63 HRH3 (0.51) MEN1KMT2AMGAT2LMNANPSR1

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-6919470-B2 Aryl and heteroaryl sulfonates BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 — — US disclosed
US-20030232802-A1 Aryl and heteroaryl sulfonates HEIL MARKUS (DE) 2003-12-18 — — US disclosed
EP-1278722-A1 ARYL AND HETEROARYL SULFONATES Bayer Aktiengesellschaft (DE) 2003-01-29 — — EP disclosed
WO-2001074763-A1 ARYL AND HETEROARYL SULFONATES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-11 — — WO 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-20030232802-A1 Aryl and heteroaryl sulfonates ARSA, SNCA, ATXN2 CNR2 84/4885CNR1 108/4885MEN1 4741/4885

“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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