Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL2178852

Nc1nc2ncc(CNC3=CCC(C(=O)O)C=C3)nc2c(=O)[nH]1.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.46
▸ AKR1B1 P15121 3/20 0.46
▸ TYMS P04818 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NOS1 P29475 7/20 0.43
▸ ADORA3 P0DMS8 1/20 0.38
▸ DHFR P00374 1/20 0.35
▸ POLA1 P09884 1/20 0.35
▸ POLG P54098 1/20 0.35

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
SCHEMBL609951 0.93 AKR1B1 (0.49) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL16058737 0.93 AKR1B1 (0.49) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL29619286 0.79 TYMS (0.66) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL5665622 0.79 TYMS (0.66) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL16681740 0.79 AKR1B1 (0.51) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL17811602 0.76 AKR1B1 (0.45) POLBAKR1B1TYMSHSD17B10KDM4E
Folic Acid SCHEMBL8897352 0.75 TYMS (0.80) POLBAKR1B1TYMSHSD17B10KDM4E
Pyrophosphoric Acid SCHEMBL30002402 0.73 TYMS (0.74) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL3980437 0.72 AKR1B1 (0.47) POLBAKR1B1TYMSHSD17B10KDM4E
SCHEMBL7639622 0.72 AKR1B1 (0.46) POLBAKR1B1TYMSHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296594-A1 POTENTIATORS OF ANTIMICROBIAL AND/OR ANTIVIRAL AGENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-09-22 — — US disclosed
WO-2020227530-A1 POTENTIATORS OF ANTIMICROBIAL AND/OR ANTIVIRAL AGENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-11-12 — — WO disclosed
US-20170246226-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TRACHTMAN IRA MILTON (US) 2017-08-31 — — US disclosed
US-9649348-B2 Compositions and method for treatment and prophylaxis of inflammatory bowel disease TRACHTMAN IRA MILTON (US) 2017-05-16 — — US disclosed
US-20170056456-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TRACHTMAN IRA MILTON (US) 2017-03-02 — — US disclosed
US-9492488-B2 Compositions and method for treatment and prophylaxis of inflammatory bowel disease TRACHTMAN IRA MILTON (US) 2016-11-15 — — US disclosed
US-20160000839-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TRACHTMAN IRA MILTON (US) 2016-01-07 — — US disclosed
US-9138441-B2 Compositions and method for treatment and prophylaxis of inflammatory bowel disease TRACHTMAN IRA MILTON (US) 2015-09-22 — — US disclosed
EP-2519108-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE Trachtman, Ira Milton (US) 2012-11-07 — — EP disclosed
US-20120276201-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TRACHTMAN IRA MILTON (US) 2012-11-01 — — US disclosed
WO-2011082218-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TRACHTMAN IRA MILTON (US) 2011-07-07 — — 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 (5 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-20120276201-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TPMT, NOD2, SI POLB 2030/4885AKR1B1 1982/4885TYMS 2620/4885
US-20220296594-A1 POTENTIATORS OF ANTIMICROBIAL AND/OR ANTIVIRAL AGENTS MAVS, IRF3, STING1 POLB 45/4885AKR1B1 4216/4885TYMS 72/4885
US-20170056456-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TPMT, NOD2, SI POLB 2030/4885AKR1B1 1982/4885TYMS 2620/4885
US-20160000839-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TPMT, NOD2, SI POLB 2030/4885AKR1B1 1982/4885TYMS 2620/4885
US-20170246226-A1 COMPOSITIONS AND METHOD FOR TREATMENT AND PROPHYLAXIS OF INFLAMMATORY BOWEL DISEASE TPMT, NOD2, SI POLB 2030/4885AKR1B1 1982/4885TYMS 2620/4885

“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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