SCHEMBL5582054

SCHEMBL5582054

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.47
CTSK P43235 3/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CAPN1 P07384 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
SCHEMBL5582055 1.00 CACNA1B (0.47) CACNA1BCTSKKMT2AMAPTCYP3A4
SCHEMBL7036592 0.92 CTSK (0.51) CACNA1BCTSKKMT2ACYP2C19
SCHEMBL4902191 0.92 CTSK (0.51) CACNA1BCTSKKMT2ACYP2C19
SCHEMBL5099149 0.91 MMP2 (0.48) CACNA1BCTSKKMT2A
SCHEMBL5099152 0.91 MMP2 (0.48) CACNA1BCTSKKMT2A
SCHEMBL7562941 0.91 MMP2 (0.48) CACNA1BCTSKKMT2A
SCHEMBL5099103 0.88 CTSK (0.47) CTSK
SCHEMBL5099105 0.88 CTSK (0.47) CTSK
SCHEMBL5105698 0.86 CACNA1B (0.46) CACNA1BCTSK
SCHEMBL5105702 0.86 CACNA1B (0.46) CACNA1BCTSK

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-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists TRPV4, TRPV2, TRPV3 CACNA1B 132/4885CTSK 410/4885KMT2A 4002/4885

“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.