SCHEMBL3759571

SCHEMBL3759571

Nc1ccn([C@H]2C[C@H](O)[C@@H](C(F)(F)OP(=O)(O)O)O2)c(=O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ POLG P54098 2/20 0.48
▸ P2RY2 P41231 4/20 0.46
▸ P2RY4 P51582 3/20 0.46
▸ P2RY6 Q15077 2/20 0.46
▸ PDE3A Q14432 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CACNA1F O60840 2/20 0.43
▸ ALB P02768 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CACNA1D Q01668 2/20 0.43
▸ CACNA1S Q13698 2/20 0.43
▸ CACNA1C Q13936 2/20 0.43
▸ NT5E P21589 2/20 0.41
▸ PDE4D Q08499 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40

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
SCHEMBL4257977 0.92 POLB (0.56) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL4254628 0.90 POLG (0.57) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL350551 0.84 POLB (0.50) POLBPOLGP2RY2P2RY4P2RY6
Hydrochloric Acid SCHEMBL19555528 0.83 POLB (0.49) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL4267963 0.78 DUT (0.52) P2RY2P2RY4P2RY6
SCHEMBL6534196 0.78 POLB (0.47) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL3485775 0.77 POLB (0.52) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL7636345 0.77 POLG (0.57) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL23751346 0.76 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL12595477 0.76 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114306240-A Gemcitabine or liposome of salt thereof, preparation method and application thereof 四川科伦药物研究院有限公司 2022-04-12 — — CN disclosed
US-20160324885-A1 COMPOSITION CONTAINING MODIFIED DERIVATIVES OF A CYTIDINE ANTIMETABOLITE FOR THE TREATMENT OF SUSCEPTIBLE DISEASE ASTERIAPHARMA GMBH (DE) 2016-11-10 — — US disclosed
EP-2854864-B1 COMPOSITIONS COMPRISING OLIGOMERS OF GEMCITABINE FOR USE IN THERAPY ASTERIAPHARMA GMBH (DE) 2016-05-04 — — EP disclosed
EP-2854864-A1 COMPOSITION CONTAINING MODIFIED DERIVATIVES OF A CYTIDINE ANTIMETABOLITE FOR THE TREATMENT OF SUSCEPTIBLE DISEASE Asteriapharma GmbH (DE) 2015-04-08 — — EP disclosed
WO-2015003747-A1 COMPOSITION CONTAINING MODIFIED DERIVATIVES OF A CYTIDINE ANTIMETABOLITE FOR THE TREATMENT OF SUSCEPTIBLE DISEASE ASTERIAPHARMA GMBH (DE) 2015-01-15 — — WO disclosed
US-8388966-B2 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. (US) 2013-03-05 — — US disclosed
US-20100311606-A1 PHARMACOGENOMIC CELL LINE PANEL AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-09 — — US disclosed
US-20090004200-A1 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. 2009-01-01 — — US disclosed
WO-2008137907-A1 PHARMACOGENOMIC CELL LINE PANEL AND USE THEREOF MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-11-13 — — WO disclosed
US-20060140962-A1 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. 2006-06-29 — — US disclosed
EP-1372717-A2 COMBINATION TREATMENT OF PANCREATIC CANCER APHTON CORPORATION (US) 2004-01-02 — — EP disclosed
US-20030091574-A1 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. 2003-05-15 — — US disclosed
WO-2002076499-A2 COMBINATION TREATMENT OF PANCREATIC CANCER APHTON CORPORATION (US) 2002-10-03 — — 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 (1 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-20160324885-A1 COMPOSITION CONTAINING MODIFIED DERIVATIVES OF A CYTIDINE ANTIMETABOLITE FOR THE TREATMENT OF SUSCEPTIBLE DISEASE DCTD, TYMP, CDA POLB 125/4885POLG 104/4885P2RY2 2007/4885

“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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