SCHEMBL230821

SCHEMBL230821

CCCCCC(OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT1 Q9H9B1 1/20 0.63
▸ P2RY2 P41231 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ FBP1 P09467 1/20 0.58
▸ SRC P12931 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ P2RY1 P47900 1/20 0.58
▸ PRKAG1 P54619 1/20 0.58
▸ PRKAA2 P54646 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PRKAA1 Q13131 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.58
▸ TAS1R1 Q7RTX1 1/20 0.58

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
SCHEMBL30211841 0.97 P2RY2 (0.59) EHMT1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL29126399 0.97 P2RY2 (0.59) EHMT1P2RY2DNPH1PRKAB2TRPM2
Hydrochloric Acid SCHEMBL30211837 0.96 P2RY2 (0.58) EHMT1P2RY2DNPH1PRKAB2TRPM2
Hydrochloric Acid SCHEMBL29126408 0.96 P2RY2 (0.58) EHMT1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL4071842 0.91 SRM (0.59) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL8440946 0.91 P2RY2 (0.60) P2RY2SRCP2RY1SMN1; SMN2
SCHEMBL8435885 0.87 P2RY2 (0.62) P2RY2SRCP2RY1SMN1; SMN2
SCHEMBL5418087 0.86 SRM (0.57) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL9008963 0.85 P2RY2 (0.57) EHMT1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL9008934 0.85 P2RY2 (0.57) EHMT1P2RY2DNPH1PRKAB2TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 — — EP claimed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 — — WO claimed
CN-110914441-B Improved process for producing isobutene from 3-methylcrotonic acid 环球生物能源公司 2024-06-28 — — CN disclosed
US-12016864-B2 LOX enzyme inhibiting methods and compositions ANOVIA BIOSCIENCES, INC. (US) 2024-06-25 — — US disclosed
CN-118147094-A Protein capable of catalyzing monoamidation of symmetrical diamine and derived from fungi and application 上海交通大学 2024-06-07 — — CN disclosed
EP-3622080-B1 IMPROVED METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID GLOBAL BIOENERGIES (FR) 2024-03-27 — — EP disclosed
WO-2024058717-A1 ENGINEERING OF RHIZOMUCOR MIEHEI LIPASE TOWARDS AMIDE BOND FORMATION FOR THE SYNTHESIS OF MEDIUM TO LONG CHAIN N-ACYL GLYCINES IN AQUEOUS MEDIA WILMAR INTERNATIONAL LIMITED (SG) 2024-03-21 — — WO disclosed
WO-2023250524-A1 SYSTEMS AND METHODS FOR CELL-FREE ITERATIVE SITE SATURATION MUTAGENESIS AND ITS APPLICATION FOR THE DIRECTED EVOLUTION OF ENZYMES CATALYZING UNNATURAL REACTIONS NORTHWESTERN UNIVERSITY (US) 2023-12-28 — — WO disclosed
US-20230390299-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES INC (US) 2023-12-07 — — US disclosed
US-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. 2023-10-05 — — US disclosed
US-20230181621-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-06-15 — — US disclosed
WO-2004093650-A2 METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID THE GENERAL HOSPITAL CORPORATION (US) 2004-11-04 — — WO disclosed
US-20040014808-A1 Novel derivatives of carnosic acid ROSAZZA JOHN P N (US) 2004-01-22 — — US disclosed
US-20030224376-A1 Comprises nucleotide sequences coding enzymatic polypeptide for diagnosing and treating cell proliferative disorders; animal models MILLENIUM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
WO-2003087316-A2 NOVEL DERIVATIVES OF CARNOSIC ACID KEMIN INDUSTRIES, INC. (US) 2003-10-23 — — WO disclosed
WO-2003076565-A2 METHODS OF USING 46828, A HUMAN ACYL-COA SYNTHETASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-09-18 — — WO disclosed
US-20030118507-A1 Methods of using 46828, a human acyl-CoA synthetase MILLENNIUM PHARMACEUTICALS, INC. 2003-06-26 — — US disclosed
US-20030077767-A1 Genes and proteins for the biosynthesis of anthramycin THALLION PHARMACEUTICALS INC. (CA) 2003-04-24 — — US disclosed
WO-2002101051-A2 GENES AND PROTEINS FOR THE BIOSYNTHESIS OF ANTHRAMYCIN ECOPIA BIOSCIENCES INC. (CA) 2002-12-19 — — WO disclosed
WO-2001090322-A2 32244, A NOVEL HUMAN AMP-BINDING ENZYME AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-11-29 — — 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 (6 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-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS LOX, LOXL1, LOXL2 EHMT1 1087/4885P2RY2 2028/4885DNPH1 720/4885
US-20040014808-A1 Novel derivatives of carnosic acid APEX1, NAA50, DNTT EHMT1 688/4885P2RY2 4122/4885DNPH1 145/4885
US-20030077767-A1 Genes and proteins for the biosynthesis of anthramycin ANTXR2, GABRG1, GABRD EHMT1 4288/4885P2RY2 4331/4885DNPH1 2335/4885
US-20230390299-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS LOX, LOXL1, LOXL2 EHMT1 1459/4885P2RY2 2047/4885DNPH1 813/4885
US-20230181621-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF ASNS, GLS, GLS2 EHMT1 3956/4885P2RY2 4005/4885DNPH1 162/4885
US-12016864-B2 LOX enzyme inhibiting methods and compositions LOX, LOXL1, LOXL2 EHMT1 1412/4885P2RY2 1913/4885DNPH1 679/4885

“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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