SCHEMBL30218795

SCHEMBL30218795

O=S(=O)(O)c1ccc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP1A2 P05177 3/20 0.41
CTRB1 P17538 1/20 0.41
MPL P40238 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 3/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
BRCA1 P38398 2/20 0.40

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
SCHEMBL3822788 1.00 AURKA (0.42) AURKAAURKBCYP1A2CTRB1MPL
SCHEMBL27842341 0.98 AURKA (0.41) AURKAAURKBCYP1A2CTRB1MPL
SCHEMBL27999679 0.98 AURKA (0.41) AURKAAURKBCYP1A2CTRB1MPL
Water SCHEMBL28058241 0.98 AURKA (0.41) AURKAAURKBCYP1A2CTRB1MPL
Methane SCHEMBL27963284 0.96 AURKA (0.40) AURKAAURKBCYP1A2CTRB1MPL
Phosphoric Acid SCHEMBL27545050 0.93 AURKA (0.38) AURKAAURKBCYP1A2CTRB1MPL
SCHEMBL11528724 0.92 AURKA (0.40) AURKAAURKBCYP1A2CTRB1MPL
SCHEMBL10001904 0.92 AURKA (0.47) AURKAAURKBCYP1A2CTRB1MPL
Acetic Acid SCHEMBL27586846 0.91 CYP1A2 (0.40) AURKAAURKBCYP1A2CTRB1MPL
SCHEMBL9397885 0.90 CYP1A2 (0.39) AURKAAURKBCYP1A2CTRB1MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223631-A1 METHODS AND KITS FOR DETECTION OF TARGETS USING PCR AND PADLOCK PROBES APLEX BIO AB (SE) 2025-07-10 US disclosed
EP-4490518-A1 METHOD FOR DETECTING CONTAMINATING CARBOXYLESTERASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-01-15 EP disclosed
WO-2023170139-A1 METHOD FOR DETECTING CONTAMINATING CARBOXYLESTERASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-14 WO disclosed
EP-4125829-A2 COMPOSITIONS AND METHODS FOR DIABETES TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2023-02-08 EP disclosed