SCHEMBL24090541

SCHEMBL24090541

CC[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
POLB P06746 1/20 0.37
ADRA1D P25100 9/20 0.34
GRIA1 P42261 3/20 0.33
GRIA2 P42262 3/20 0.33
GRIA3 P42263 3/20 0.33
GRIA4 P48058 3/20 0.33
ADRA1A P35348 5/20 0.33
ADRA1B P35368 4/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
P2RX7 Q99572 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
SCHEMBL24090539 1.00 CA1 (0.42) CA1CA2HTR2AHTR2CHTR2B
SCHEMBL24075043 0.80 CA1 (0.56) CA1CA2HTR2AHTR2CHTR2B
SCHEMBL13499158 0.76 CA2 (0.42) CA1CA2POLBADRA1DGRIA1
SCHEMBL4246184 0.76 CA2 (0.42) CA1CA2POLBADRA1DGRIA1
SCHEMBL13499159 0.76 CA2 (0.43) CA1CA2POLBADRA1DGRIA1
SCHEMBL24075044 0.76 CA1 (0.42) CA1CA2HTR2CPOLBADRA1D
Hydrochloric Acid SCHEMBL1003509 0.75 CA2 (0.44) CA1CA2ADRA1DGRIA1GRIA2
SCHEMBL2354707 0.75 CA1 (0.41) CA1CA2HTR2CPOLBADRA1D
SCHEMBL13499157 0.70 CA1 (0.37) CA1CA2POLBADRA1DABCC8
SCHEMBL24858507 0.69 HTR2C (0.65) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-09 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-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS AADAC, HNMT, HRH4 CA1 524/4885CA2 263/4885HTR2A 3215/4885

“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.