SCHEMBL17784693

SCHEMBL17784693

CS(=O)(=O)OCCc1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
TSHR P16473 4/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL1960375 0.82 KDM4E (0.46) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL6278755 0.76 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EUSP2SMN1; SMN2
SCHEMBL3589537 0.76 TAAR1 (0.47) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL5659205 0.75 PTGS2 (0.43) FFAR1CYP19A1
SCHEMBL2996214 0.75 TAAR1 (0.46) NR3C1ALDH1A1TSHRKDM4EUSP2
SCHEMBL4852971 0.75 TAAR1 (0.46) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL3128402 0.75 TAAR1 (0.47) ALDH1A1HTTTSHRKDM4EUSP2
SCHEMBL17372880 0.75 TAAR1 (0.46) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL2061401 0.75 KDM4E (0.39) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7155961 0.75 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227296-B2 Bis(sulfonamide) derivatives and their use as mPGES inhibitors Arcturum Real Estate AB (SE) 2019-03-12 US disclosed
US-10227296-B2 Bis(sulfonamide) derivatives and their use as mPGES inhibitors Arcturum Real Estate AB (SE) 2019-03-12 US disclosed
US-20180002278-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS ACTURUM REAL ESTATE AB (SE) 2018-01-04 US disclosed
US-20180002278-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS ACTURUM REAL ESTATE AB (SE) 2018-01-04 US disclosed
EP-3224241-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Real Estate AB (SE) 2017-10-04 EP disclosed
CN-107001251-A Double (sulfonamide) derivatives and its purposes as MPGES inhibitor 埃克杜鲁姆房地产有限公司 2017-08-01 CN disclosed
WO-2016085391-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Life Science AB (SE) 2016-06-02 WO disclosed
WO-2016085391-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Life Science AB (SE) 2016-06-02 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-10227296-B2 Bis(sulfonamide) derivatives and their use as mPGES inhibitors PTGES, PTGS1, PTGES2 NR3C1 1632/4885ALDH1A1 394/4885HTT 4380/4885
US-20180002278-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS PTGES, PTGS1, PTGES2 NR3C1 1632/4885ALDH1A1 394/4885HTT 4380/4885

“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.