SCHEMBL20047560

SCHEMBL20047560

CC(C)(C)COC(=O)NS(=O)(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 5/20 0.39
KMT2A Q03164 1/20 0.38
STS P08842 1/20 0.38
ERBB2 P04626 4/20 0.38
ALDH1A1 P00352 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
PKM P14618 1/20 0.37
MEP1B Q16820 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL21161054 0.87 SMN1; SMN2 (0.53) PPARASMN1; SMN2EGFRKMT2AALDH1A1
SCHEMBL21161099 0.85 MMP2 (0.43) PPARASMN1; SMN2KMT2AALDH1A1CA1
SCHEMBL20047614 0.84 PPARA (0.48) PPARASMN1; SMN2EGFRKMT2ASTS
SCHEMBL21098178 0.84 CTDSP1 (0.43) PPARASMN1; SMN2EGFRKMT2ASTS
SCHEMBL20047462 0.82 PPARA (0.47) PPARASTSALDH1A1CA1CA2
SCHEMBL23502403 0.79 PPARA (0.44) PPARASMN1; SMN2KMT2ASTSALDH1A1
SCHEMBL20043408 0.78 PPARA (0.52) PPARAEGFRERBB2MEP1BPPARG
SCHEMBL21161258 0.77 PPARA (0.41) PPARASMN1; SMN2EGFRKMT2ASTS
SCHEMBL18487588 0.73 FFAR4 (0.50) PPARASTSCA1CA2CA12
SCHEMBL26750279 0.72 PPARA (0.46) PPARASMN1; SMN2KMT2AALDH1A1CA1

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 5 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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (5 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 PPARA 172/4885SMN1; SMN2 4455/4885EGFR 2440/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PPARA 172/4885SMN1; SMN2 4455/4885EGFR 2440/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 PPARA 154/4885SMN1; SMN2 4330/4885EGFR 2014/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PPARA 172/4885SMN1; SMN2 4455/4885EGFR 2440/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 PPARA 154/4885SMN1; SMN2 4330/4885EGFR 2014/4885

“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.