SCHEMBL3066671

SCHEMBL3066671

Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
KDM4E B2RXH2 2/20 1.00
APEX1 P27695 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 3/20 0.54
ALOX15 P16050 1/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4C Q9H3R0 1/20 0.47
TSHR P16473 1/20 0.47

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
Benzene SCHEMBL28024132 1.00 POLB (1.00) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL28576826 0.84 KDM4E (0.73) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL3462293 0.83 POLB (0.71) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL9202299 0.83 KDM4E (0.71) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL3007153 0.83 KDM4E (0.71) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL3462043 0.78 KDM4E (0.63) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL28024130 0.78 KDM4E (0.63) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL28372211 0.74 POLB (0.62) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL14495384 0.74 KDM4C (0.62) POLBKDM4EAPEX1TDP1SMN1; SMN2
SCHEMBL2938583 0.74 MEN1 (0.69) POLBKDM4EAPEX1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
CN-101842367-A Heterocyclic compounds and pharmaceutical compositions thereof OTSUKA PHARMA CO LTD 2010-09-22 CN 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 POLB 4006/4885KDM4E 2634/4885APEX1 3048/4885

“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.