SCHEMBL5700409

SCHEMBL5700409

CC(C)c1cc(S(C)(=O)=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
ROCK1 Q13464 1/20 0.37
GCK P35557 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL14299655 0.83 CHRNA7 (0.58) CHRNA7ROCK1
SCHEMBL22601562 0.81 HRH4 (0.37) CHRNA7NR1H2HRH4ROCK1GCK
SCHEMBL25824990 0.80 L3MBTL1 (0.46) CHRNA7GCK
SCHEMBL25820335 0.79 GFER (0.46) CHRNA7
SCHEMBL10920036 0.78 ROCK1 (0.40) NR1H2NR1H3ROCK1PTGS2
SCHEMBL3465119 0.78 HRH4 (0.40) HRH4ROCK1
SCHEMBL13801171 0.74 UHRF1 (0.48) ROCK1PTGS2
SCHEMBL13058477 0.73 CHRNA7 (0.40) CHRNA7NR1H2NR1H3HRH4PTGS2
SCHEMBL23015739 0.73 ALDH1A1 (0.43) CHRNA7
SCHEMBL5700498 0.73 HRH4 (0.39) HRH4ROCK1GCKAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541055-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2023-01-03 US disclosed
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-11-19 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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 (3 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-11541055-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CHRNA7 4798/4885NR1H2 2001/4885NR1H3 1396/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 CHRNA7 4649/4885NR1H2 3743/4885NR1H3 3648/4885
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CHRNA7 4798/4885NR1H2 2001/4885NR1H3 1396/4885

“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.