SCHEMBL13624677

SCHEMBL13624677

Cc1nc(/N=N/c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
P2RY1 P47900 4/20 1.00
P2RX2 Q9UBL9 3/20 1.00
KDM4E B2RXH2 3/20 1.00
P2RX3 P56373 3/20 1.00
P2RX7 Q99572 3/20 1.00
P2RX5 Q93086 2/20 1.00
P2RX4 Q99571 2/20 1.00
ALDH1A1 P00352 2/20 1.00
CASP1 P29466 1/20 1.00
CYP2C19 P33261 1/20 1.00
RAB9A P51151 1/20 1.00
CASP7 P55210 1/20 1.00
MEN1 O00255 3/20 0.86
KMT2A Q03164 3/20 0.86
HPGD P15428 2/20 0.86
HSD17B10 Q99714 2/20 0.86
ENPP1 P22413 1/20 0.86
P2RY13 Q9BPV8 4/20 0.69

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
SCHEMBL31236767 1.00 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL29357199 1.00 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL5287746 1.00 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL7196930 1.00 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL7196945 1.00 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
Isoppads SCHEMBL29494952 0.93 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
Isoppads SCHEMBL14702227 0.93 MAPT (1.00) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL16450980 0.89 MAPT (0.79) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL29374112 0.88 MAPT (0.78) MAPTTDP1P2RY1P2RX2KDM4E
SCHEMBL15354624 0.86 MAPT (0.76) MAPTTDP1P2RY1P2RX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US claimed
US-20190160029-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-30 US disclosed
US-9872875-B2 Component and method for treating viral disease HONZ PHARMACEUTICAL CO., LTD. (CN) 2018-01-23 US disclosed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 US disclosed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 US disclosed
US-20150045318-A1 COMPONENT AND METHOD FOR TREATING VIRAL DISEASE HONZ PHARMACEUTICAL CO., LTD. (CN) 2015-02-12 US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 US disclosed
WO-2009141627-A1 TREATING NIEMANN-PICK DISEASE TYPE C AND RELATED DISORDERS BY ELEVATING INTRACELLULAR CALCIUM ISIS INNOVATION LIMITED (GB) 2009-11-26 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 (4 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-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MAPT 4512/4885TDP1 504/4885P2RY1 21/4885
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME P2RX3, P2RX1, P2RX2 MAPT 2226/4885TDP1 3900/4885P2RY1 8/4885
US-20150045318-A1 COMPONENT AND METHOD FOR TREATING VIRAL DISEASE P2RX7, P2RX3, P2RX1 MAPT 3504/4885TDP1 2729/4885P2RY1 10/4885
US-20190160029-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION VASP, MYLK, EDNRB MAPT 4064/4885TDP1 2465/4885P2RY1 141/4885

“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.