SCHEMBL19630951

SCHEMBL19630951

CCCCS(=O)(=O)NC(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL8091952 0.83 FAAH (0.43) EPHX1PTPN1
SCHEMBL19627363 0.79 EPHX1 (0.49) LMNAEPHX1ALDH1A1MAPK1
SCHEMBL9491708 0.78 ALDH1A1 (0.39) HPGDLMNAALDH1A1MAPTNPC1
SCHEMBL17188793 0.78 ALDH1A1 (0.37) HPGDLMNAALDH1A1MAPTNPC1
SCHEMBL8827496 0.77 ALDH1A1 (0.35) HPGDLMNAALDH1A1MAPTNPC1
Water SCHEMBL3203989 0.77 ALDH1A1 (0.38) HPGDLMNAALDH1A1MAPTNPC1
SCHEMBL27109977 0.75 CASP2 (0.44) MAPTNPSR1
SCHEMBL16181428 0.75 HSP90AA1 (0.42) ALDH1A1MAPTTP53MAPK1SMN1; SMN2
SCHEMBL19627406 0.73 ALDH1A1 (0.38) HPGDLMNAALDH1A1MAPTNPC1
SCHEMBL13113281 0.72 FAAH (0.41) PTPN1

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-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 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-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, NR1H4 HPGD 417/4885LMNA 4454/4885EPHX1 577/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 HPGD 372/4885LMNA 4330/4885EPHX1 566/4885

“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.