SCHEMBL309869

SCHEMBL309869

Cc1cccc(-c2cc(O)cc(S(C)(=O)=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SDHB P21912 1/20 0.42
MAPK14 Q16539 3/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
ACHE P22303 1/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
SCD O00767 1/20 0.40
DHODH Q02127 1/20 0.40
MCL1 Q07820 1/20 0.40
IDO1 P14902 1/20 0.40
ENPP2 Q13822 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL309425 0.83 EGFR (0.49) HSD17B1HSD17B2PTGS2ENPP2
SCHEMBL308981 0.83 ESR2 (0.50) HSD17B1HSD17B2PTGS2PTGS1SCD
SCHEMBL29319745 0.80 ABL1 (0.59) HSD17B1HSD17B2AKR1C2AKR1C1ACHE
SCHEMBL25014571 0.79 ABL1 (0.57) HSD17B1HSD17B2AKR1C2AKR1C1ACHE
SCHEMBL18736378 0.79 ABL1 (0.63) HSD17B1HSD17B2AKR1C2AKR1C1ACHE
SCHEMBL29319688 0.79 ACHE (0.60) HSD17B1HSD17B2AKR1C2AKR1C1ACHE
SCHEMBL25014572 0.79 ABL1 (0.57) HSD17B1HSD17B2AKR1C2AKR1C1ACHE
SCHEMBL25490780 0.78 PTGS2 (0.53) MAPK14PTGS2PTGS1IDO1MMP1
SCHEMBL1958688 0.75 DHODH (0.46) AKR1C2AKR1C1SDHBACHEDHODH
SCHEMBL309954 0.75 PTGS2 (0.56) PTGS2PTGS1

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 HSD17B1 188/4885HSD17B2 255/4885AKR1C2 784/4885

“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.