SCHEMBL21453948

SCHEMBL21453948

CC1(C)c2ccccc2S(=O)(=O)c2cnccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
GPR3 P46089 1/20 0.35
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL21390569 0.84 KMT2A (0.48) MEN1KMT2ANOX1GPR3LMNA
SCHEMBL30193036 0.84 KMT2A (0.48) MEN1KMT2ANOX1GPR3LMNA
SCHEMBL21453622 0.76 ALDH1A1 (0.36)
SCHEMBL19319666 0.71 KDM4E (0.37) MEN1KMT2ANOX1GPR3LMNA
SCHEMBL4734675 0.71 KDM4E (0.37) MEN1KMT2ANOX1GPR3LMNA
SCHEMBL19319663 0.70 KMT2A (0.36) MEN1KMT2ANOX1GPR3CA1
SCHEMBL19325059 0.70 KMT2A (0.36) MEN1KMT2ANOX1GPR3CA12
SCHEMBL26502496 0.70 TP53 (0.38) MEN1KMT2ANOX1GPR3LMNA
SCHEMBL21453950 0.69 GPR3 (0.64) MEN1KMT2ANOX1GPR3LMNA
SCHEMBL18174538 0.69 MAOA (0.44) LMNAMAOAMAOBPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 MEN1 1688/4885KMT2A 2917/4885NOX1 1410/4885

“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.