Phosphoric Acid

Phosphoric Acid

SCHEMBL635361

CN(C)C(=[O+]n1nnc2cccnc21)N(C)C.CN(C)C(=[O+]n1nnc2cccnc21)N(C)C.CN(C)C(=[O+]n1nnc2cccnc21)N(C)C.O=P([O-])([O-])[O-]

nearest known ligand 0.35

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.35
MGLL Q99685 3/20 0.35
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
TP53 P04637 1/20 0.31

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
Phosphoric Acid SCHEMBL635362 0.96 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL563962 0.95 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL472851 0.93 FAAH (0.33) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29442809 0.92 TUBB4A (0.37) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL11981 0.92 TUBB4A (0.37) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL563963 0.91 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
Fluoride SCHEMBL542370 0.89 TUBB4A (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL2232947 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29442870 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL63612 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 US disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 EP disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
EP-2813500-B1 Intermediates for the preparation of hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-7544698-B2 Indoles and benzoimidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-09 US disclosed
EP-2049474-A2 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-2010172-A2 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-01-07 EP disclosed
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
WO-2008008776-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-17 WO disclosed
US-20080014173-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-17 US disclosed
WO-2007117401-A2 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed
US-20070238771-A1 Indoles and benzoimidazoles as histamine H4 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-11 US 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL FAAH 2705/4885MGLL 326/4885TUBB4A 1261/4885
US-20070238771-A1 Indoles and benzoimidazoles as histamine H4 receptor modulators HRH4, HRH3, HRH1 FAAH 391/4885MGLL 4463/4885TUBB4A 1011/4885
US-20080014173-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL FAAH 2705/4885MGLL 326/4885TUBB4A 1261/4885
US-20080152619-A1 N-(4,6-dimethyl-2-pyridinyl)-L-valyl-(4R) N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)oxy)-L-prolinamide; viricide; synergistic with other active ingredients PREP, PPIL4, PPID FAAH 2067/4885MGLL 516/4885TUBB4A 879/4885

“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.