SCHEMBL15840313

SCHEMBL15840313

Cc1nc2cccc(S(C)(=O)=O)c2c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.36
PARG Q86W56 1/20 0.36
HRH3 Q9Y5N1 5/20 0.36
PIK3CD O00329 6/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
TNF P01375 1/20 0.35
IL1B P01584 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7014708 0.79 ELANE (0.49) KDM4EHRH3PIK3CDALDH1A1LMNA
SCHEMBL15840329 0.76 PARP1 (0.51) KDM4EHRH3ALDH1A1LMNAMEN1
SCHEMBL20404253 0.76 PARP1 (0.51) KDM4EHRH3KCNH2
SCHEMBL15519378 0.76 CHEK1 (0.41) KDM4ETNFIL1BDDB1CRBN
SCHEMBL17449525 0.76 KDM4E (0.36) KDM4EHRH3TNFIL1BDDB1
SCHEMBL16309055 0.75 ELANE (0.53) KDM4ETNFIL1BDDB1CRBN
SCHEMBL16310614 0.73 ALDH1A1 (0.53) HSD11B1KDM4EHRH3ALDH1A1MEN1
SCHEMBL15840321 0.73 EIF4EBP1 (0.43) KDM4EPIK3CDPIK3CGTNFIL1B
SCHEMBL15840320 0.72 PARP1 (0.42) KDM4EKMT2A
SCHEMBL20404391 0.71 PARP1 (0.64) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 EP disclosed
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 US disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 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 (3 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-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 HSD11B1 1027/4885KDM4E 3701/4885PARG 4480/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 HSD11B1 1074/4885KDM4E 3924/4885PARG 4634/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 HSD11B1 1074/4885KDM4E 3924/4885PARG 4634/4885

“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.