Phosphoric Acid

Phosphoric Acid

SCHEMBL2580447

CCC(C#N)CC.O=P(O)(O)O

nearest known ligand 0.39

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.39
FDPS P14324 5/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
MMP3 P08254 1/20 0.32

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 SCHEMBL574558 0.86 FDPS (0.43) LAP3FDPS
Phosphoric Acid SCHEMBL574780 0.86 FDPS (0.43) LAP3FDPS
SCHEMBL533350 0.83
SCHEMBL30704478 0.78 PGK1 (0.39)
SCHEMBL6728630 0.72
SCHEMBL5144163 0.72
SCHEMBL6294099 0.72
SCHEMBL29094833 0.72 CYP3A4 (0.42)
SCHEMBL15309950 0.71 TSHR (0.41)
Phosphoric Acid SCHEMBL29250066 0.71 ALDH1A1 (0.60) LAP3FDPSMMP1MMP2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049010-B2 Using 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-formaldehyde as raw material; cyanation to 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-acrylonitrile; carbonylation, chain extension, hydrolysis, neutralization, decomposition, catalysis Anhui Qingyun Pharmaceuticals & Chemical Co., Ltd. (CN) 2011-11-01 US claimed
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates ANHUI QUINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD. (CN) 2008-04-17 US claimed
US-8049010-B2 Using 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-formaldehyde as raw material; cyanation to 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-acrylonitrile; carbonylation, chain extension, hydrolysis, neutralization, decomposition, catalysis Anhui Qingyun Pharmaceuticals & Chemical Co., Ltd. (CN) 2011-11-01 US disclosed
US-8049010-B2 Using 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-formaldehyde as raw material; cyanation to 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-acrylonitrile; carbonylation, chain extension, hydrolysis, neutralization, decomposition, catalysis Anhui Qingyun Pharmaceuticals & Chemical Co., Ltd. (CN) 2011-11-01 US disclosed
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates ANHUI QUINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD. (CN) 2008-04-17 US disclosed
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates ANHUI QUINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD. (CN) 2008-04-17 US disclosed
US-4070468-A ANTIALLERGENS SANDOZ, INC. (US) 1978-01-24 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 (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-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates KCNN4, HCN4, CACNB4 LAP3 826/4885FDPS 192/4885MMP1 3478/4885

“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.