SCHEMBL20178611

SCHEMBL20178611

CCCCc1ccc(C(=O)OC)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.51
MAPK8 P45983 1/20 0.50
PSMB5 P28074 1/20 0.49
METAP2 P50579 1/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
ACHE P22303 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL28560553 0.92 LTB4R2 (0.50) LTB4R2METAP2AGTR1AGTR2GABRA1
SCHEMBL28565657 0.87 GABRA1 (0.49) LTB4R2METAP2GABRA1GABRG2GABRB3
SCHEMBL28008439 0.86 PPARA (0.56) LTB4R2PSMB5METAP2PPARAPPARG
SCHEMBL7616054 0.86 PPARA (0.51) LTB4R2METAP2PPARAPPARGAGTR1
SCHEMBL6625089 0.84 GABRA1 (0.49) LTB4R2GABRA1GABRG2GABRB3GABRA3
SCHEMBL24578098 0.82 HDAC7 (0.49) LTB4R2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6772188 0.82 SLC6A3 (0.50) LTB4R2GABRA1GABRG2GABRB3GABRA3
SCHEMBL29775283 0.82 HDAC7 (0.49) LTB4R2GABRA1GABRG2GABRB3GABRA3
SCHEMBL24579101 0.82 LOXL2 (0.51) LTB4R2GABRA1GABRG2GABRB3GABRA3
SCHEMBL29775255 0.82 LOXL2 (0.51) LTB4R2GABRA1GABRG2GABRB3GABRA3

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 LTB4R2 1064/4885MAPK8 2724/4885PSMB5 1035/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 LTB4R2 1064/4885MAPK8 2724/4885PSMB5 1035/4885

“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.