SCHEMBL20043300

SCHEMBL20043300

COC(=O)c1ccc(F)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 2/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL752590 0.86 NOTUM (0.64) NOTUMCA1CA2CA12CA7
SCHEMBL14012580 0.86 NOTUM (0.64) NOTUMCA1CA2CA12CA7
SCHEMBL15077182 0.86 NOTUM (0.55) NOTUMCA1CA2CA12CA7
SCHEMBL13440125 0.84 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL4211041 0.83 NOTUM (0.46) NOTUMCA1CA2CA12CA7
SCHEMBL2506183 0.81 CA12 (0.45) NOTUMCA1CA2CA12CA7
SCHEMBL30882425 0.81 NOTUM (0.50) NOTUMCA1CA2CA12CA7
SCHEMBL30882397 0.81 NOTUM (0.50) NOTUMCA1CA2CA12CA7
SCHEMBL16804165 0.81 NOTUM (0.55) NOTUMCA1CA2CA12CA7
SCHEMBL2310374 0.81 CA12 (0.65) NOTUMCA1CA2CA12CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (3 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NOTUM 1653/4885CA1 2164/4885CA2 2228/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 NOTUM 1653/4885CA1 2164/4885CA2 2228/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NOTUM 1653/4885CA1 2164/4885CA2 2228/4885

“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.