SCHEMBL21536760

SCHEMBL21536760

CC(C)CCS(=O)(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA12 O43570 3/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA1 P00915 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KEAP1 Q14145 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL6534021 0.83 CA12 (0.68) CA2CA12CA7CA14CA1
SCHEMBL24990193 0.80 CA2 (0.59) CA2CA12CA7CA14CA1
SCHEMBL14355810 0.79 CA12 (0.49) CA2CA12CA7CA14CA1
SCHEMBL13584943 0.79 CA2 (0.50) CA2CA12CA7CA14CA1
SCHEMBL13584945 0.79 CA2 (0.50) CA2CA12CA7CA14CA1
SCHEMBL2112943 0.77 CA2 (0.65) CA2CA12CA7CA14CA1
SCHEMBL195152 0.77 CA2 (0.55) CA2CA12CA7CA14CA1
SCHEMBL21686856 0.77 CA2 (0.55) CA2CA12CA7CA14CA1
SCHEMBL11690253 0.77 CA12 (0.59) CA2CA12CA7CA14CA1
SCHEMBL4411027 0.77 CA12 (0.60) CA2CA12CA7CA14CA1

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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2019-10-31 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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 CA2 2540/4885CA12 4026/4885CA7 3637/4885

“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.