SCHEMBL232890

SCHEMBL232890

COc1ccc(I)cc1C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA7 P43166 6/20 0.45
CA9 Q16790 6/20 0.45
CA14 Q9ULX7 6/20 0.45
ALDH1A1 P00352 3/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCI P41743 1/20 0.41
PRKCZ Q05513 1/20 0.41
AR P10275 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
APP P05067 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29196240 0.85 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL412460 0.83 KDM4E (0.49) ALDH1A1HPGDMAPK1HSD17B10AR
SCHEMBL30393778 0.83 KDM4E (0.49) ALDH1A1HPGDMAPK1HSD17B10AR
SCHEMBL11442696 0.82 ABCG2 (0.59) CA12CA1CA2CA7CA9
SCHEMBL9732329 0.81 HTT (0.48) CA9ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL8067198 0.80 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL29196253 0.79 DRD2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL28023082 0.79 HDAC1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8419945 0.78 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL233846 0.78 APP (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US disclosed
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US disclosed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP disclosed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
EP-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
CN-102985418-A Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC 2013-03-20 CN disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO 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-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 CA12 4580/4885CA1 3337/4885CA2 3776/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 CA12 4580/4885CA1 3337/4885CA2 3776/4885

“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.