SCHEMBL934408

SCHEMBL934408

O=S(=O)(Cl)c1ccc(CCC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CEL P19835 4/20 0.42
DAO P14920 2/20 0.40
ATM Q13315 1/20 0.38
PPARG P37231 1/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23536072 0.91 GPR84 (0.40) MAOBTDP1
SCHEMBL12453115 0.83 DAO (0.43) CELDAOATMKMT2AMAOB
SCHEMBL12453121 0.83 KMT2A (0.44) KMT2AMEN1
SCHEMBL16503442 0.83 LTA4H (0.41) CELKMT2AMEN1TDP1
SCHEMBL7735405 0.81 DAO (0.41) DAOATMKMT2AMAOBMEN1
SCHEMBL27858590 0.81 EPHX2 (0.48) MAOBUSP2
SCHEMBL20573232 0.78 MAOB (0.40) DAOMAOB
SCHEMBL26038271 0.78 CA2 (0.55) ATM
SCHEMBL6129078 0.78 CA1 (0.49) ATMKMT2AMEN1USP2CYP3A4
SCHEMBL12453144 0.77 MMP1 (0.37) CELDAOPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
EP-2454216-A1 NON-POLAR AND POLAR LEAVING GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
CN-102471176-A Non-polar and polar leaving groups BAYER SCHERING PHARMA AG 2012-05-23 CN disclosed
WO-2011006610-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 WO disclosed
WO-2011006610-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 WO 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-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS PGLS, RABGGTB, LNPEP CEL 129/4885DAO 1137/4885ATM 4782/4885

“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.