SCHEMBL18176624

SCHEMBL18176624

O=Cc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.53
STS P08842 1/20 0.39
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SRC P12931 2/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL9502405 0.87 CISD1 (0.46) CISD1STSGLAGAASRC
SCHEMBL9053013 0.83 CISD1 (0.50) CISD1GLAGAATYR
SCHEMBL3022240 0.80 SRC (0.54) CISD1GAASRCALDH1A1PPARG
SCHEMBL3042573 0.78 STS (0.64) CISD1STSGLAGAAPTGS2
SCHEMBL16664708 0.75 STS (0.37) CISD1STSCYP1A1CYP1B1PPARG
SCHEMBL26116722 0.75 CISD1 (0.90) CISD1GAAPTGS2ALDH1A1KDM4E
SCHEMBL9958559 0.72 CYP1A1 (0.52) GAAPTGS2ALDH1A1KDM4ECYP1A1
SCHEMBL3520079 0.70 CISD1 (0.63) CISD1GLAGAAPTGS2ALDH1A1
SCHEMBL9664445 0.70 CA1 (0.60) CISD1STSGLAGAAALDH1A1
SCHEMBL21247190 0.70 CISD1 (1.00) CISD1GAAPTGS2ALDH1A1KDM4E

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-9758459-B2 Allosteric modulators of factor XIa as anticoagulant agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-09-12 US disclosed
US-20160311842-A1 ALLOSTERIC MODULATORS OF FACTOR XIa AS ANTICOAGULANT AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2016-10-27 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-20160311842-A1 ALLOSTERIC MODULATORS OF FACTOR XIa AS ANTICOAGULANT AGENTS TFPI, TFPI2, F10 CISD1 2696/4885STS 495/4885GLA 306/4885

“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.