SCHEMBL15830968

SCHEMBL15830968

CN(Cc1cccc(C(C)(C)C)c1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PTGER2 P43116 2/20 0.38
CYP1A2 P05177 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR3C1 P04150 1/20 0.38
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 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
SCHEMBL12169353 0.80 KCNH2 (0.43) ACHEPTGER2ALDH1A1
SCHEMBL4678470 0.79 CYP2C19 (0.52) ACHECYP1A2HDAC4HDAC2HDAC8
SCHEMBL10192162 0.78 NR3C1 (0.47) ACHEHSD17B1HSD17B2CYP1A2KDM4E
SCHEMBL17560581 0.77 HSD11B1 (0.45) HSD17B1HSD17B2CYP1A2KDM4EHSD17B10
SCHEMBL15706266 0.76 CYP1A2 (0.41) ACHECYP1A2HDAC4HDAC2HDAC8
SCHEMBL14204619 0.76 HDAC4 (0.42) ACHECYP1A2HDAC4HDAC2HDAC8
SCHEMBL2057187 0.75 ALDH1A1 (0.54) ALDH1A1MEN1HTTRAB9AKMT2A
SCHEMBL13154826 0.73 PTGS2 (0.44) ACHECYP1A2HDAC4HDAC2HDAC8
SCHEMBL2634549 0.73 ENPP2 (0.50) HSD17B1HSD17B2TSHR
SCHEMBL12384904 0.73 NR1H3 (0.53) HSD17B1HSD17B2PTGER2HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266878-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA LLC (US) 2016-02-23 US disclosed
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2015-08-06 US disclosed
US-9018221-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA, LLC (US) 2015-04-28 US disclosed
US-20140179673-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 (2 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-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 ACHE 4188/4885HSD17B1 1524/4885HSD17B2 1504/4885
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 ACHE 4188/4885HSD17B1 1524/4885HSD17B2 1504/4885

“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.