SCHEMBL22601562

SCHEMBL22601562

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.37
LOXL2 Q9Y4K0 1/20 0.33
NR1H2 P55055 1/20 0.33
ROCK1 Q13464 1/20 0.33
GCK P35557 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA7 P36544 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 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
SCHEMBL5700409 0.81 CHRNA7 (0.46) HRH4NR1H2ROCK1GCKCHRNA7
SCHEMBL10920036 0.75 ROCK1 (0.40) NR1H2ROCK1SMN1; SMN2
SCHEMBL3465119 0.74 HRH4 (0.40) HRH4LOXL2ROCK1
SCHEMBL13801171 0.67 UHRF1 (0.48) ROCK1SMN1; SMN2
SCHEMBL25824990 0.67 L3MBTL1 (0.46) GCKSMN1; SMN2CHRNA7
SCHEMBL3439349 0.67 CCR1 (0.39) HRH4NR1H2
SCHEMBL5700498 0.67 HRH4 (0.39) HRH4ROCK1GCKSMN1; SMN2AKR1C3
SCHEMBL29006786 0.66 KEAP1 (0.35) HRH4GCKAKR1C3AKR1C2
SCHEMBL6883165 0.66 PTGS2 (0.46) LOXL2NR1H2ROCK1
SCHEMBL177999 0.66 TSHR (0.48) SMN1; SMN2

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (2 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK HRH4 3715/4885LOXL2 3648/4885NR1H2 3714/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 HRH4 4032/4885LOXL2 1871/4885NR1H2 590/4885

“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.