SCHEMBL3377220

SCHEMBL3377220

COc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
KDM1A O60341 1/20 0.59
MAOA P21397 1/20 0.59
PGR P06401 5/20 0.57
PFKFB3 Q16875 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CNR1 P21554 1/20 0.54
CYP19A1 P11511 2/20 0.54
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN5 P54829 1/20 0.53

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
SCHEMBL1629146 0.87 PGR (0.74) PLAUCYP11B1CYP11B2KDM1AMAOA
SCHEMBL31681417 0.80 CYP19A1 (0.68) PLAUPGRALDH1A1LMNACYP19A1
SCHEMBL3758000 0.80 PGR (0.83) PLAUCYP11B1CYP11B2PGRGAA
SCHEMBL2236028 0.79 PLAU (0.63) PLAUCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL20323615 0.78 HTR6 (0.66) PLAUPGRGAAALDH1A1LMNA
SCHEMBL7183197 0.78 GAA (0.64) PGRGAAALDH1A1LMNACYP19A1
SCHEMBL4662755 0.77 PGR (0.72) PGRGAAALDH1A1LMNACYP19A1
SCHEMBL13631959 0.76 CYP19A1 (0.68) PGRPFKFB3GAACNR1CYP19A1
SCHEMBL31681290 0.76 CYP19A1 (0.67) PLAUALDH1A1LMNACYP19A1
SCHEMBL792192 0.76 CNR1 (0.59) CNR1

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-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 PLAU 4662/4885CYP11B1 868/4885CYP11B2 842/4885

“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.