Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5596534

Fc1c(F)c(F)c(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c(F)c1F.[Cl-].[Cl-].[Cl-].[Fe+3]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ TOP1 P11387 1/20 0.31
▸ TERT O14746 2/20 0.30

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
SCHEMBL1290623 0.97 STAT3 (0.56) STAT3STAT1TOP1TERT
SCHEMBL29738339 0.94 STAT3 (0.58) STAT3STAT1TOP1TERT
SCHEMBL31127549 0.93 STAT3 (0.57) STAT3STAT1TOP1TERT
SCHEMBL30426808 0.92 STAT3 (0.56) STAT3STAT1TOP1TERT
SCHEMBL1978627 0.92 STAT3 (0.56) STAT3STAT1TOP1TERT
SCHEMBL19206150 0.89 STAT3 (0.53) STAT3STAT1TERT
Hydrochloric Acid SCHEMBL2963616 0.87 STAT3 (0.49) STAT3STAT1TOP1TERT
SCHEMBL3005847 0.85 STAT3 (0.50) STAT3STAT1TOP1TERT
SCHEMBL1640967 0.83 STAT3 (0.50) STAT3STAT1
SCHEMBL4258776 0.82 STAT3 (0.43) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297657-B2 Process for the preparation of N-(phosphonomethyl)glycine by oxidizing N-substituted N-(phosphonomethyl)glycine MONSANTO TECHNOLOGY LLC (US) 2007-11-20 — — US claimed
EP-1716923-A1 Oxidation catalyst for making glyphosate Monsanto Technology, LLC (US) 2006-11-02 — — EP disclosed
US-6759549-B2 PREPARATION OF N-(PHOSPHONOMETHYL)GLYCINE, ITS SALTS, AND ITS ESTERS, WHEREIN THE METHOD OF PREPARATION COMPRISES A CARBOXYMETHYLATION STEP MONSANTO TECHNOLOGY LLC 2004-07-06 — — US disclosed
US-20030225298-A1 Method of preparing amino carboxylic acids MONSANTO TECHNOLOGY LLC 2003-12-04 — — US disclosed
US-20030088122-A1 Method of preparing amino carboxylic acids JOHNSON TODD J (US) 2003-05-08 — — US disclosed
US-20020002281-A1 Method of preparing amino carboxylic acids JOHNSON TODD J (US) 2002-01-03 — — US disclosed
EP-1062221-A4 PROCESS FOR MAKING GLYPHOSATE BY OXIDIZING N-SUBSTITUTED GLYPHOSATES MONSANTO TECHNOLOGY LLC (US) 2001-10-17 — — EP disclosed
EP-1104427-A2 PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL)GLYCINE BY OXIDIZING N-SUBSTITUTED N-(PHOSPHONOMETHYL)GLYCINE MONSANTO COMPANY (US) 2001-06-06 — — EP disclosed
EP-1062221-A1 PROCESS FOR MAKING GLYPHOSATE BY OXIDIZING N-SUBSTITUTED GLYPHOSATES MONSANTO COMPANY (US) 2000-12-27 — — EP disclosed
EP-0973719-A4 METHOD OF PREPARING AMINO CARBOXYLIC ACIDS MONSANTO CO (US) 2000-05-17 — — EP disclosed
WO-2000009517-A2 PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL)GLYCINE BY OXIDIZING N-SUBSTITUTED N-(PHOSPHONOMETHYL)GLYCINE MONSANTO COMPANY (US) 2000-02-24 — — WO disclosed
EP-0973719-A1 METHOD OF PREPARING AMINO CARBOXYLIC ACIDS MONSANTO COMPANY (US) 2000-01-26 — — EP disclosed
WO-1999041260-A1 PROCESS FOR MAKING GLYPHOSATE BY OXIDIZING N-SUBSTITUTED GLYPHOSATES MONSANTO COMPANY (US) 1999-08-19 — — WO disclosed
WO-1998035930-A1 METHOD OF PREPARING AMINO CARBOXYLIC ACIDS MONSANTO COMPANY (US) 1998-08-20 — — 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 (3 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-20020002281-A1 Method of preparing amino carboxylic acids CPS1, GNMT, HNMT STAT3 3406/4885STAT1 2005/4885TOP1 3056/4885
US-20030088122-A1 Method of preparing amino carboxylic acids CPS1, GNMT, HNMT STAT3 3406/4885STAT1 2005/4885TOP1 3056/4885
US-20030225298-A1 Method of preparing amino carboxylic acids CPS1, GNMT, HNMT STAT3 3406/4885STAT1 2005/4885TOP1 3056/4885

“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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