SCHEMBL1973448

SCHEMBL1973448

Oc1cnccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
ERN1 O75460 1/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RBP4 P02753 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
LATS1 O95835 1/20 0.35
AURKA O14965 1/20 0.34
MEN1 O00255 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL29788281 1.00 P2RX1 (0.41) P2RX1NPC1POLBGAAMAPT
SCHEMBL8766220 0.86 P2RX1 (0.38) P2RX1NPC1POLBGAAMAPT
SCHEMBL20772453 0.83 KIF11 (0.41) NPC1POLBGAAMAPTKIF11
SCHEMBL19489324 0.83 P2RX1 (0.36) P2RX1NPC1POLBGAAKDM4E
SCHEMBL7756452 0.78 P2RX1 (0.37) P2RX1NPC1POLBERN1KDM4E
SCHEMBL14868405 0.77 ALDH1A1 (0.48) POLBMAPTKIF11KDM4EMAPKAPK2
SCHEMBL8765469 0.77 KDM4E (0.36) P2RX1NPC1POLBGAAERN1
SCHEMBL12341054 0.76 LATS1 (0.40) NPC1POLBGAAMAPTKIF11
SCHEMBL805458 0.76 LATS1 (0.40) NPC1POLBGAAMAPTKIF11
SCHEMBL2145747 0.74 LOXL2 (0.43) NPC1POLBGAAKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-02 US disclosed
CN-116507613-A Bispecific antagonists of retinol binding protein 4 which stabilize transthyretin tetramer, their preparation and use in the treatment of common age-related complications 纽约哥伦比亚大学理事会 2023-07-28 CN disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
EP-1668021-B1 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS FOURNIER LAB SA (FR) 2011-06-22 EP disclosed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 WO disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP 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 (7 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 P2RX1 2017/4885NPC1 270/4885POLB 1535/4885
US-20230348415-A1 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES TTR, RBP4, RBP1 P2RX1 4014/4885NPC1 599/4885POLB 3018/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 P2RX1 1961/4885NPC1 290/4885POLB 1549/4885
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS P2RX1 551/4885NPC1 2901/4885POLB 3936/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK P2RX1 662/4885NPC1 3557/4885POLB 3158/4885
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A P2RX1 2920/4885NPC1 445/4885POLB 4303/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E P2RX1 1882/4885NPC1 1299/4885POLB 11/4885

“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.