Sugi Predict

Sugi Predict / Compounds / SCHEMBL2392983

SCHEMBL2392983

SCHEMBL2392983

O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccc2ccccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.39
▸ RAB9A P51151 2/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ TLR4 O00206 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
Lithium Ion SCHEMBL2994019 0.90 RORC (0.43) RORCRAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL2392982 0.86 RORC (0.41) RORCRAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL3289610 0.79 RORC (0.42) RORCRAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL384619 0.79 MMP1 (0.37) MMP13CYP19A1TEAD4NPY1RNPY5R
SCHEMBL1595059 0.78 RORC (0.41) RORCRAB9ASLC1A3SLC1A2SLC1A1
Lithium Ion SCHEMBL2994018 0.75 RORC (0.45) RORCRAB9ASLC1A3SLC1A2SLC1A1
Trifluoromethanesulfonic Acid SCHEMBL51470 0.74 GPR3 (0.39) SMN1; SMN2CA12CA1CA2
SCHEMBL4941537 0.74 NR3C1 (0.33) RORCCA1CA2KEAP1NFE2L2
SCHEMBL10083976 0.74 RORC (0.40) RORCRAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL29745863 0.72 GPR3 (0.40) CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539316-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2019-10-23 — — EP disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 — — US disclosed
EP-2838927-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-25 — — EP disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 — — US disclosed
US-8580478-B2 Latent acids and their use BASF SE (DE) 2013-11-12 — — US disclosed
WO-2013156509-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2013-10-24 — — WO disclosed
EP-2539316-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2013-01-02 — — EP disclosed
US-20110217654-A1 Latent acids and their use BASF SE (DE) 2011-09-08 — — US disclosed
WO-2011104127-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2011-09-01 — — 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 (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-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE SQOR, ACSL3, ARSA RORC 2112/4885RAB9A 623/4885SLC1A3 4105/4885
US-20110217654-A1 Latent acids and their use NR1H3, NR1H2, NR2E3 RORC 74/4885RAB9A 4194/4885SLC1A3 888/4885

“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.