SCHEMBL23799261

SCHEMBL23799261

Cc1cccc(S(=O)(=O)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
HTR2A P28223 5/20 0.44
HTR2C P28335 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 1/20 0.43
HTR7 P34969 4/20 0.42
AKR1C3 P42330 2/20 0.41
KCNH2 Q12809 3/20 0.41
ATM Q13315 1/20 0.40
NOTUM Q6P988 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL27917812 0.84 HTR2A (0.58) SPRHTR2AHTR2CMEN1KMT2A
SCHEMBL4539607 0.83 SPR (0.46) SPRHTR2AHTR2CALDH1A1AKR1C3
SCHEMBL2928335 0.82 ELOVL6 (0.45) SPRHTR2AHTR2CMEN1KMT2A
SCHEMBL21626630 0.82 GPR119 (0.60) MEN1KMT2AEPHX2
SCHEMBL17410625 0.82 KMT2A (0.49) HTR2AHTR2CMEN1KMT2AALDH1A1
SCHEMBL1498303 0.80 CNR1 (0.51)
SCHEMBL1809004 0.80 KAT6A (0.44) SPRHTR2AKMT2AALDH1A1DRD2
SCHEMBL6095946 0.79 DRD2 (0.47) HTR2AHTR2CMEN1KMT2AALDH1A1
SCHEMBL8546806 0.78 AKR1C3 (0.51) SPRMEN1KMT2AALDH1A1AKR1C3
SCHEMBL1808102 0.77 CACNA1B (0.48) SPRHTR2AHTR2CEPHX2AKR1C3

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-20210284639-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-09-16 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-20210284639-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT SPR 1246/4885HTR2A 3563/4885HTR2C 3307/4885

“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.