SCHEMBL2389586

SCHEMBL2389586

C[C@H](NC(=O)OC(C)(C)C)c1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.53
CTSK P43235 3/20 0.47
ABCB1 P08183 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSS P25774 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TRPA1 O75762 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL27411555 1.00 ACACB (0.53) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL3502879 0.85 CTSK (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL27788730 0.85 CTSK (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL15048272 0.85 CTSK (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL3502878 0.85 CTSK (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL23205455 0.85 GPR139 (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL25546987 0.85 GPR139 (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL13542547 0.85 GPR139 (0.48) ACACBCTSKABCB1KMT2ATSHR
SCHEMBL16659631 0.84 HTT (0.53) ACACBCTSKABCB1KMT2ACTSS
SCHEMBL16918908 0.84 CTSK (0.47) ACACBCTSKABCB1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 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 (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-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF RIPK1, RIPK4, RIPK3 ACACB 4293/4885CTSK 971/4885ABCB1 1028/4885
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 ACACB 3703/4885CTSK 3219/4885ABCB1 2090/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 ACACB 3703/4885CTSK 3219/4885ABCB1 2090/4885

“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.