SCHEMBL310175

SCHEMBL310175

CCCS(=O)(=O)c1cc(O)cc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 5/20 0.33
PTGS2 P35354 3/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 4/20 0.32
POLB P06746 2/20 0.32
GRK2 P25098 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
THRB P10828 3/20 0.32
PNMT P11086 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 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
SCHEMBL309573 0.87 ALDH1A1 (0.39) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL310459 0.76 LMNA (0.43) ALDH1A1KMT2AMEN1POLBGRK2
SCHEMBL10634307 0.76 LMNA (0.40) ALDH1A1KMT2ACYP3A4MEN1MAPT
SCHEMBL30633579 0.75 ENPP2 (0.46) PTGS2CYP3A4TDP1LMNA
SCHEMBL309415 0.75 ENPP2 (0.46) PTGS2CYP3A4TDP1LMNA
SCHEMBL11331630 0.73 HSD17B1 (0.47) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL263686 0.73 ATM (0.46) ALDH1A1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL17262653 0.72 LMNA (0.44) ALDH1A1KMT2ACYP3A4MEN1TDP1
SCHEMBL18503820 0.72 PSIP1 (0.46) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL4175341 0.72 CYP2C9 (0.33) ALDH1A1KMT2ACYP3A4MEN1POLB

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 6 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
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
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 ALDH1A1 685/4885KMT2A 4432/4885PTGS2 40/4885

“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.