SCHEMBL23973993

SCHEMBL23973993

CC(C)(C)c1ccc(NCS(=O)(=O)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.58
CA2 P00918 6/20 0.58
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
UQCRB P14927 1/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORA P35398 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL18747641 0.75 CA1 (0.60) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL29164346 0.75 FAAH (0.54) CA1CA2ALDH1A1BCHE
SCHEMBL3275328 0.72 HRH3 (0.50) CA1CA2MEN1MAPTKMT2A
SCHEMBL8025764 0.71 CA1 (0.46) CA1CA2MEN1MAPTKMT2A
SCHEMBL12781694 0.71 HRH3 (0.49) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL26406327 0.71 HRH3 (0.49) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL1950603 0.71 HRH3 (0.49) CA1CA2MEN1MAPTKMT2A
SCHEMBL13167595 0.71 HRH3 (0.49) CA1CA2MEN1MAPTKMT2A
SCHEMBL11935535 0.70 CA1 (0.48) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL12652286 0.70 CA1 (0.45) CA1CA2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-08 US disclosed
WO-2021219089-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2021-11-04 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 (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-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS ACE2, SARS1, ACE CA1 4450/4885CA2 1997/4885ALDH1A1 1825/4885

“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.