SCHEMBL20178640

SCHEMBL20178640

CCC(C)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 2/20 0.37
APLNR P35414 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37

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
SCHEMBL3517296 1.00 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL3517294 1.00 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL17935800 1.00 PLG (0.42) PLGPLATLMNAANPEPENPEP
SCHEMBL7878856 0.88 KDM4E (0.38) PLGPLATLMNAANPEPENPEP
SCHEMBL16943496 0.82 LMNA (0.41) PLGPLATLMNAANPEPENPEP
SCHEMBL16943490 0.82 LMNA (0.41) PLGPLATLMNAANPEPENPEP
SCHEMBL16943500 0.82 LMNA (0.41) PLGPLATLMNAANPEPENPEP
SCHEMBL4429096 0.82 SMN1; SMN2 (0.46) HCAR2SHBGKMT2ANPSR1
SCHEMBL1805066 0.81 LMNA (0.43) PLGPLATLMNAANPEPENPEP
SCHEMBL13713727 0.81 LMNA (0.43) PLGPLATLMNAANPEPENPEP

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 PLG 4167/4885PLAT 2546/4885LMNA 4211/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 PLG 4167/4885PLAT 2546/4885LMNA 4211/4885

“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.