SCHEMBL20098093

SCHEMBL20098093

CCCCCCC(CCCC)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSPA5 P11021 1/20 0.34
DNM1 Q05193 2/20 0.33
CTSK P43235 1/20 0.33
NR1I2 O75469 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL19334597 0.98 PLA2G4A (0.36) PLA2G4AL3MBTL1HSPA5CTSKNR1I2
SCHEMBL18948435 0.98 PLA2G4A (0.36) PLA2G4AL3MBTL1HSPA5CTSKNR1I2
SCHEMBL18430567 0.98 PLA2G4A (0.36) PLA2G4AL3MBTL1HSPA5CTSKNR1I2
SCHEMBL29325457 0.98 PLA2G4A (0.36) PLA2G4AL3MBTL1HSPA5CTSKNR1I2
SCHEMBL21217035 0.98 PLA2G4A (0.36) PLA2G4AL3MBTL1HSPA5CTSKNR1I2
SCHEMBL28578071 0.93 L3MBTL1 (0.34) PLA2G4AL3MBTL1HSPA5CTSKFBP1
SCHEMBL29865290 0.92 NR1I2 (0.38) PLA2G4AL3MBTL1NR1I2FBP1
SCHEMBL12193817 0.83 FBP1 (0.37) HSPA5FBP1
SCHEMBL1670553 0.83 CA2 (0.39) PLA2G4AL3MBTL1
SCHEMBL7763980 0.81 PLA2G4A (0.34) PLA2G4AL3MBTL1HSPA5CTSKFBP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2019-06-27 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 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 (2 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-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 PLA2G4A 996/4885L3MBTL1 4658/4885HSPA5 387/4885
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 PLA2G4A 996/4885L3MBTL1 4658/4885HSPA5 387/4885

“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.