SCHEMBL29907671

SCHEMBL29907671

CC(=O)c1cc(C(=O)O)c(=O)n(-c2ccccc2OCC(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 3/20 0.48
SCN9A Q15858 2/20 0.46
CACNA1G O43497 8/20 0.44
CACNA1H O95180 8/20 0.44
CACNA1I Q9P0X4 5/20 0.38
TSHR P16473 1/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RIPK1 Q13546 2/20 0.36

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
SCHEMBL29907514 0.88 UGCG (0.45) UGCGSCN9ACACNA1GCACNA1H
SCHEMBL29601498 0.80 UGCG (0.55) UGCGSCN9ACACNA1GCACNA1H
SCHEMBL29907547 0.79 UGCG (0.64) UGCGSCN9ACACNA1GCACNA1HCACNA1I
SCHEMBL29907650 0.72 TSHR (0.41) UGCGTSHR
SCHEMBL29907410 0.70 UGCG (0.75) UGCGSCN9A
SCHEMBL29907490 0.70 UGCG (0.75) UGCGSCN9A
SCHEMBL1434118 0.69 ALDH1A1 (0.59) TSHR
SCHEMBL22729782 0.68 UGCG (0.43) UGCGSCN9ATSHRADRA1DADRA1A
SCHEMBL11784830 0.68 ALDH1A1 (0.57) TSHR
SCHEMBL17859344 0.68 LMNA (0.60) UGCGCYP2C9

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-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885SCN9A 1952/4885CACNA1G 1281/4885

“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.