SCHEMBL20047564

SCHEMBL20047564

CCCCCCC(C)(CC)CCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
POLB P06746 1/20 0.44
POLA1 P09884 1/20 0.44
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM5A P29375 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGKA P23743 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL28792662 0.91 CA12 (0.46) CA12CA14CA2CA7CA9
SCHEMBL20047503 0.91 CA12 (0.46) CA12CA14CA2CA7CA9
SCHEMBL23502561 0.91 CA12 (0.46) CA12CA14CA2CA7CA9
SCHEMBL20198651 0.85 MAPT (0.46) TSHRMEN1KMT2AMAPTATM
SCHEMBL21654316 0.84 PAM (0.49) CA12CA14CA2CA7CA9
SCHEMBL23542143 0.84 MEN1 (0.48) CA12CA14CA2CA7CA9
Ammonia Solution, Strong SCHEMBL28792667 0.84 TSHR (0.48) CA12CA14CA2CA7CA9
Ammonia Solution, Strong SCHEMBL28823524 0.81 CA12 (0.46) CA12CA14CA2CA7CA9
SCHEMBL14627982 0.80 MEN1 (0.50) CA12CA14CA2CA7CA9
SCHEMBL20711057 0.80 MEN1 (0.50) CA12CA14CA2CA7CA9

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-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

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CA12 3445/4885CA14 3222/4885CA2 2228/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CA12 3445/4885CA14 3222/4885CA2 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.