Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5925199

O=S(=O)(Cl)C(F)(F)F.[Cl-].[Li+]

nearest known ligand 0.41

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
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL21681 0.92
SCHEMBL2582328 0.92 CA1 (0.47) CA1CA2CA7CA13
Methane SCHEMBL27881065 0.88
SCHEMBL16760664 0.88
Hydrochloric Acid SCHEMBL5733160 0.88
SCHEMBL4178096 0.88
Lithium SCHEMBL31511739 0.88
SCHEMBL10486665 0.81 CA1 (0.39) CA1CA2CA7CA13
SCHEMBL1146027 0.74 CA2 (0.39) CA1CA2CA7CA13
SCHEMBL10756128 0.74 CA1 (0.33) CA1CA2CA7CA13

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-20060211873-A1 Synthesis of cyproterone acetate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-21 US claimed
EP-1501858-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-02-02 EP claimed
US-20040024230-A1 Synthesis of cyproterone acetate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-02-05 US claimed
WO-2003092578-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-13 WO claimed
US-20060211873-A1 Synthesis of cyproterone acetate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-21 US disclosed
EP-1501858-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-02-02 EP disclosed
US-20040024230-A1 Synthesis of cyproterone acetate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-02-05 US disclosed
WO-2003092578-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-13 WO disclosed
EP-1359154-A1 Further syntheses of cyproterone acetate BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2003-11-05 EP 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 (2 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-20040024230-A1 Synthesis of cyproterone acetate CYP17A1, CYP19A1, CYP21A2 CA1 1770/4885CA2 3066/4885CA7 913/4885
US-20060211873-A1 Synthesis of cyproterone acetate CYP17A1, CYP19A1, HSD17B7 CA1 1809/4885CA2 2963/4885CA7 789/4885

“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.