SCHEMBL978015

SCHEMBL978015

CC(C)(C)N[C@@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.49
▸ SORT1 Q99523 1/20 0.49
▸ MAPK1 P28482 1/20 0.40
▸ KEAP1 Q14145 2/20 0.36
▸ PYGL P06737 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL978016 1.00 GRN (0.49) GRNSORT1MAPK1KEAP1PYGL
Hydrochloric Acid SCHEMBL5226312 0.98 GRN (0.48) GRNSORT1MAPK1KEAP1PYGL
SCHEMBL13166785 0.82 MAPK1 (0.39) GRNSORT1MAPK1
SCHEMBL27420062 0.82 MAPK1 (0.39) GRNSORT1MAPK1
SCHEMBL20850028 0.82 MAPK1 (0.39) GRNSORT1MAPK1
SCHEMBL26229150 0.82 GRN (0.38) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL20980672 0.82 MME (0.38) GRNSORT1TGFBR1KDM4EMAPT
SCHEMBL1693987 0.82 GRN (0.50) GRNSORT1MAPK1KEAP1PYGL
SCHEMBL5048325 0.82 GRN (0.50) GRNSORT1MAPK1KEAP1PYGL
SCHEMBL1693084 0.82 GRN (0.50) GRNSORT1MAPK1KEAP1PYGL

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4406606-A2 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE G Bayer Pharma Aktiengesellschaft (DE) 2024-07-31 — — EP disclosed
CN-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 — — CN disclosed
EP-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 — — EP disclosed
EP-3432934-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 — — EP disclosed
EP-3313521-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 — — EP disclosed
EP-3313525-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 — — EP disclosed
EP-3313524-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-CD123-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 — — EP disclosed
EP-3313522-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 — — EP disclosed
EP-3310440-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2018-04-25 — — EP disclosed
EP-3233127-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 — — EP disclosed
WO-2016207098-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-CD123-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 — — WO disclosed
WO-2016207103-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 — — WO disclosed
WO-2016096610-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — WO disclosed
US-8609836-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 — — US disclosed
EP-2283024-B1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-15 — — EP disclosed
US-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
EP-2283024-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-02-16 — — EP disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 — — US disclosed
WO-2009112439-A1 4-ARYL-2-ANILINO-PYRIMIDINES AS PLK KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-17 — — 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-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 GRN 4043/4885SORT1 2540/4885MAPK1 202/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 GRN 4043/4885SORT1 2540/4885MAPK1 202/4885

“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.

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