SCHEMBL29339604

SCHEMBL29339604

COc1ccc(CC(=O)O)c(OCc2c(C)oc3ccc(-c4cccc(C(=N)N)c4)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
PTGER4 P35408 2/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ANO1 Q5XXA6 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LCK P06239 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SLC26A4 O43511 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 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
SCHEMBL29340068 0.91 TSHR (0.42) P2RX3SMN1; SMN2POLBPTGER4GAA
SCHEMBL29591349 0.87 CFD (0.51) PTGER4ANO1MTNR1AMTNR1B
SCHEMBL23218068 0.87 CFD (0.51) PTGER4ANO1MTNR1AMTNR1B
SCHEMBL29592750 0.86 CFD (0.52) SMN1; SMN2POLBPTGER4GAAKDM4E
SCHEMBL23218377 0.86 CFD (0.52) SMN1; SMN2POLBPTGER4GAAKDM4E
SCHEMBL23218163 0.86 CFD (0.52) SMN1; SMN2POLBPTGER4GAAKDM4E
SCHEMBL23229010 0.86 CFD (0.52) SMN1; SMN2POLBPTGER4GAAKDM4E
SCHEMBL23218165 0.85 CFD (0.43) PTGER4ANO1MTNR1AMTNR1B
SCHEMBL23218061 0.85 PTGER4 (0.43) PTGER4ANO1
SCHEMBL23218060 0.85 CFD (0.52) PTGER4ANO1ALDH1A1TSHRHSD17B10

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 P2RX3 4430/4885SMN1; SMN2 4845/4885POLB 1866/4885

“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.