Hydrochloric Acid

Hydrochloric Acid

SCHEMBL22390744

N[C@@H](CCOCc1ccsc1)C(=O)COc1c(F)c(F)cc(F)c1F.[Cl-].[H+]

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 2/20 0.38
▸ SLC1A1 P43005 2/20 0.38
▸ CTSK P43235 2/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSH P09668 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSF Q9UBX1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP3 P42574 5/20 0.33
▸ CASP8 Q14790 4/20 0.33

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
Hydrochloric Acid SCHEMBL22390746 0.97 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSKCTSV
Hydrochloric Acid SCHEMBL22390756 0.84 CASP3 (0.39) CTSKCTSVCTSLCTSBCTSH
SCHEMBL22404791 0.84 CASP3 (0.43) SLC1A1CTSKCTSVCTSLCTSB
Hydrochloric Acid SCHEMBL22390644 0.83 CASP3 (0.42) SLC1A1CTSKCTSVCTSLCTSB
Hydrochloric Acid SCHEMBL22390645 0.83 CASP3 (0.42) SLC1A1CTSKCTSVCTSLCTSB
SCHEMBL22390774 0.82 CTSV (0.43) CTSKCTSVCTSLCTSBCTSH
SCHEMBL22390779 0.82 CTSV (0.43) CTSKCTSVCTSLCTSBCTSH
Hydrochloric Acid SCHEMBL22390757 0.81 CASP3 (0.39) CTSKCTSVCTSLCTSBCTSH
Hydrochloric Acid SCHEMBL30220175 0.81 CASP3 (0.39) CTSKCTSVCTSLCTSBCTSH
SCHEMBL30220182 0.77 CTSK (0.44) CTSKCTSVCTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935042-B1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC (KR) 2024-08-28 — — EP disclosed
US-12071412-B2 Caspase inhibitors and methods of use thereof NOBO MEDICINE INC. (KR) 2024-08-27 — — US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 — — US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 — — US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 — — 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 SLC1A3 4704/4885SLC1A2 4684/4885SLC1A1 4600/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 SLC1A3 4704/4885SLC1A2 4684/4885SLC1A1 4600/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 SLC1A3 4704/4885SLC1A2 4684/4885SLC1A1 4600/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 SLC1A3 4704/4885SLC1A2 4684/4885SLC1A1 4600/4885

“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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