SCHEMBL20178593

SCHEMBL20178593

CCCCc1ccc(C(=O)OC)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
CFTR P13569 2/20 0.43
FAAH O00519 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
S1PR1 P21453 1/20 0.41
NOTUM Q6P988 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PLK1 P53350 2/20 0.40
LMNA P02545 1/20 0.40
TUBB4A P04350 1/20 0.40
CYP1A2 P05177 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL10309762 0.87 CFTR (0.49) CFTRKDM4EALDH1A1HPGDNOTUM
SCHEMBL20178587 0.85 PPARA (0.57) PPARAPPARGFAAHKDM4EALDH1A1
SCHEMBL2769865 0.82 CA12 (0.48) CFTRKDM4EALDH1A1HPGDNOTUM
SCHEMBL29244656 0.81 CFTR (0.47) CFTRKDM4EALDH1A1HPGDNOTUM
SCHEMBL29338521 0.81 CFTR (0.50) CFTRKDM4EALDH1A1HPGDNOTUM
SCHEMBL16726459 0.81 THRA (0.60) PPARAPPARGCFTRFAAHKDM4E
SCHEMBL20556198 0.80 PPARA (0.67) PPARAPPARGFAAHALDH1A1PLK1
SCHEMBL20556222 0.80 PPARA (0.67) PPARAPPARGFAAHALDH1A1PLK1
SCHEMBL15498456 0.80 PPARA (0.50) PPARAPPARGKDM4EALDH1A1HPGD
SCHEMBL3898889 0.79 CFTR (0.44) PPARACFTRKDM4EALDH1A1HPGD

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 PPARA 241/4885PPARG 33/4885CFTR 32/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 PPARA 241/4885PPARG 33/4885CFTR 32/4885

“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.