SCHEMBL309298

SCHEMBL309298

COc1cc(I)cc(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
XDH P47989 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 5/20 0.38
PTGS1 P23219 3/20 0.38
PKM P14618 1/20 0.38
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL17263616 0.78 RAPGEF4 (0.44) SMN1; SMN2XDHALDH1A1PTGS2PTGS1
SCHEMBL2437487 0.78 HTR6 (0.50) SMN1; SMN2XDHALDH1A1PTGS2PTGS1
SCHEMBL30253355 0.76 SMN1; SMN2 (0.39) SMN1; SMN2XDHALDH1A1PTGS2PTGS1
SCHEMBL27823143 0.76 PTGS2 (0.44) SMN1; SMN2XDHALDH1A1PTGS2PTGS1
SCHEMBL24156677 0.76 SMN1; SMN2 (0.39) SMN1; SMN2XDHALDH1A1PTGS2PTGS1
SCHEMBL811852 0.75 ALDH1A1 (0.59) ALDH1A1PTGS2CYP1A1CYP1B1
SCHEMBL388181 0.75 ALDH1A1 (0.69) ALDH1A1PTGS2CYP1A1CYP1B1
SCHEMBL18661564 0.73 SMN1; SMN2 (0.40) SMN1; SMN2XDHALDH1A1PTGS2LMNA
SCHEMBL13169385 0.73 LOX (0.41) SMN1; SMN2XDHALDH1A1PTGS2PTGS1
SCHEMBL5620234 0.72 RXRA (0.46) ALDH1A1PTGS2PKM

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
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S SMN1; SMN2 4381/4885XDH 415/4885ALDH1A1 685/4885

“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.