SCHEMBL5434145

SCHEMBL5434145

CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCCCNC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.65
TAS1R1 Q7RTX1 2/20 0.65
TRPV4 Q9HBA0 1/20 0.61
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 5/20 0.57
RAB9A P51151 1/20 0.54
PIN1 Q13526 1/20 0.49
ACKR3 P25106 1/20 0.48
TACR2 P21452 6/20 0.48

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
SCHEMBL4144456 0.98 TAS1R3 (0.65) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL5438188 0.92 TAS1R3 (0.65) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL5429395 0.91 TAS1R3 (0.66) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL13872407 0.90 TAS1R3 (0.65) TAS1R3TAS1R1TRPV4CTSBCTSS
Hydrochloric Acid SCHEMBL4135083 0.89 TAS1R3 (0.64) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL5429415 0.87 TRPV4 (0.66) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL3920615 0.87 TAS1R3 (0.59) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL14360828 0.86 TAS1R3 (0.61) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL14360887 0.86 TRPV4 (0.67) TAS1R3TAS1R1TRPV4CTSBCTSS
SCHEMBL5438961 0.85 TAS1R3 (0.65) TAS1R3TAS1R1TRPV4CTSBCTSS

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 TAS1R3 710/4885TAS1R1 618/4885TRPV4 1/4885

“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.