SCHEMBL1953733

SCHEMBL1953733

C[C@H](O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DGAT1 O75907 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PIK3CD O00329 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL305050 1.00 TP53 (0.38) TP53CA12CA14DGAT1CA1
SCHEMBL1332536 1.00 TP53 (0.38) TP53CA12CA14DGAT1CA1
Alcohol SCHEMBL8207414 0.91 CA1 (0.36) TP53CA12CA14DGAT1CA1
Propionic Acid SCHEMBL3457303 0.87 FFAR3 (0.42) TP53CA12CA14CA1CA2
SCHEMBL7260792 0.84 CA12 (0.33) TP53CA12CA14DGAT1CA1
SCHEMBL8030378 0.82 HTT (0.40) CA12CA14DGAT1CA1CA2
SCHEMBL19407016 0.82 HTT (0.40) CA12CA14DGAT1CA1CA2
SCHEMBL8028869 0.82 HTT (0.40) CA12CA14DGAT1CA1CA2
SCHEMBL1845280 0.82 HTT (0.40) CA12CA14DGAT1CA1CA2
SCHEMBL11855010 0.81 CA1 (0.39) CA12CA14DGAT1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146047-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-28 US disclosed
EP-4680611-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2026-01-21 EP disclosed
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
EP-4149941-B1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF ALGEN BIOTECHNOLOGIES INC (US) 2025-09-03 EP disclosed
US-20250223291-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION 2025-07-10 US disclosed
US-12281079-B2 Quinoline derivatives, processes for their preparation and uses thereof for the treatment of cancer LEAD DISCOVERY CENTER GMBH (DE) 2025-04-22 US disclosed
US-12264152-B2 Certain chemical compositions and methods of use thereof ALGEN BIOTECHNOLOGIES, INC. (US) 2025-04-01 US disclosed
WO-2024189597-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-19 WO disclosed
US-20240309016-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-19 US disclosed
US-6495566-B2 POTENT ANTAGONISTS AT THE STRYCHNINE INSENSITIVE GLYCINE BINDING SITE ASSOCIATED WITH THE N-METHYLASPARTIC ACID RECEPTOR COMPLEX SMITHKLINE BEECHAM CORPORATION 2002-12-17 US disclosed
US-20020169186-A1 TETRAHYDROQUINOLINE DERIVATIVES AS GLYCINE ANTAGONISTS DI FABIO ROMANO (IT) 2002-11-14 US disclosed
US-6413985-B1 SELECTIVE ANTAGONISTS FOR THE STRYCHNINE INSENSITIVE GLYCINE BINDING SITE ASSOCIATED WITH THE NMDA RECEPTOR COMPLEX. SMITHKLINE BEECHAM CORPORATION 2002-07-02 US disclosed
US-20020052391-A1 Tetrahydroquinoline derivatives as glycine antagonists DI FABIO ROMANO (IT) 2002-05-02 US disclosed
US-6362199-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-03-26 US disclosed
CN-1311785-A Tetrahydroquinoline derivatives as glycine antagonists GLAXO WELLCOME SPA (IT) 2001-09-05 CN disclosed
EP-1087981-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-04-04 EP disclosed
EP-1086093-A1 TETRAHYDROQUINOLINE DERIVATIVES AS GLYCINE ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 2001-03-28 EP disclosed
WO-1999065922-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 1999-12-23 WO disclosed
WO-1999064411-A1 TETRAHYDROQUINOLINE DERIVATIVES AS GLYCINE ANTAGONISTS GLAXO WELLCOME SPA (IT) 1999-12-16 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 (8 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-20020052391-A1 Tetrahydroquinoline derivatives as glycine antagonists GLRB, GLRA2, GLRA1 TP53 4775/4885CA12 3784/4885CA14 3865/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP TP53 1257/4885CA12 3487/4885CA14 3027/4885
US-20250223291-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 TP53 312/4885CA12 3754/4885CA14 3868/4885
US-12281079-B2 Quinoline derivatives, processes for their preparation and uses thereof for the treatment of cancer AVPR2, AVPR1A, VHL TP53 10/4885CA12 1285/4885CA14 1722/4885
US-20020169186-A1 TETRAHYDROQUINOLINE DERIVATIVES AS GLYCINE ANTAGONISTS GLRA1, GRM1, GNMT TP53 4734/4885CA12 3055/4885CA14 2969/4885
US-20240309016-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF HCRTR2, HCRTR1, NTSR2 TP53 4885/4885CA12 2202/4885CA14 2932/4885
US-20260146047-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF HCRTR2, HCRTR1, NPY1R TP53 4883/4885CA12 2594/4885CA14 2928/4885
US-12264152-B2 Certain chemical compositions and methods of use thereof CDK9, CDK19, CDK6 TP53 63/4885CA12 1955/4885CA14 2457/4885

“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.