SCHEMBL19699149

SCHEMBL19699149

COC(=O)[C@H](N)Cc1cccs1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 14/20 0.59
RAB9A P51151 1/20 0.54
CYP2C19 P33261 1/20 0.53
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
POLB P06746 1/20 0.46
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL2058609 1.00 CTSC (0.59) CTSCRAB9ACYP2C19SLC1A3SLC1A2
SCHEMBL1631750 1.00 CTSC (0.59) CTSCRAB9ACYP2C19SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL2524346 0.98 CTSC (0.58) CTSCRAB9ACYP2C19SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7066923 0.98 CTSC (0.58) CTSCRAB9ACYP2C19SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL28362983 0.98 CTSC (0.58) CTSCRAB9ACYP2C19SLC1A3SLC1A2
SCHEMBL20543720 0.86 CTSC (0.55) CTSCRAB9ACYP2C19SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL29780783 0.84 CTSC (0.53) CTSCRAB9ACYP2C19SLC1A3SLC1A2
SCHEMBL9727077 0.83 CYP2C19 (0.66) CTSCRAB9ACYP2C19POLB
SCHEMBL18023562 0.83 CTSC (0.55) CTSCRAB9ACYP2C19SLC1A3SLC1A2
SCHEMBL19664147 0.83 CTSC (0.55) CTSCRAB9ACYP2C19SLC1A3SLC1A2

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
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 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 (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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A CTSC 355/4885RAB9A 1126/4885CYP2C19 2796/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 CTSC 1715/4885RAB9A 3181/4885CYP2C19 157/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 CTSC 1526/4885RAB9A 3269/4885CYP2C19 106/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 CTSC 690/4885RAB9A 2527/4885CYP2C19 1943/4885

“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.