SCHEMBL20178600

SCHEMBL20178600

CCCCc1ccc(C(=O)O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.58
AGTR2 P50052 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.54
PLA2G4B P0C869 1/20 0.51
PPARA Q07869 2/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
TTR P02766 1/20 0.48
RARB P10826 1/20 0.47

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
SCHEMBL850225 0.95 PPARA (0.56) AGTR1AGTR2CA12CA1CA2
SCHEMBL16533333 0.88 CA12 (0.57) AGTR1AGTR2CA12CA1CA2
SCHEMBL3565449 0.86 MGLL (0.55) AGTR1AGTR2SMPD1
SCHEMBL6825959 0.86 AGTR1 (0.46) AGTR1AGTR2TSHRPPARASMPD1
SCHEMBL2592749 0.85 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL9952051 0.84 CA12 (0.61) AGTR1AGTR2CA12CA1CA2
SCHEMBL13098212 0.83 ALOX5 (0.51) TSHRPPARASMPD1
SCHEMBL25219692 0.83 CA12 (0.59) AGTR1AGTR2CA12CA1CA2
SCHEMBL9182373 0.83 HTT (0.60) CA12CA1CA2CA4CA6
SCHEMBL15573768 0.83 CA12 (0.59) AGTR1AGTR2CA12CA1CA2

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 AGTR1 810/4885AGTR2 878/4885CA12 4171/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 AGTR1 810/4885AGTR2 878/4885CA12 4171/4885

“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.