SCHEMBL19631003

SCHEMBL19631003

CC(=O)NS(=O)(=O)N1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
FKBP1A P62942 5/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 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
SCHEMBL13249203 1.00 GAA (0.47) GAAFKBP1ACA1CA2POLB
SCHEMBL19630970 0.98 GAA (0.45) GAAFKBP1ACA1CA2POLB
SCHEMBL26873959 0.93 GAA (0.41) GAAFKBP1AKMT2AALDH1A1MEN1
SCHEMBL1705467 0.86 GAA (0.46) GAAFKBP1ACA1CA2POLB
SCHEMBL3204515 0.80 GAA (0.49) GAAFKBP1ACA1CA2POLB
SCHEMBL25240442 0.79 GAA (0.45) GAAFKBP1ACA1CA2POLB
SCHEMBL19272299 0.79 GAA (0.53) GAAFKBP1ACA1CA2POLB
SCHEMBL19630955 0.79 GAA (0.53) GAAFKBP1ACA1CA2POLB
SCHEMBL13329864 0.79 GAA (0.45) GAAFKBP1ACA1CA2POLB
SCHEMBL4664950 0.78 CA1 (0.46) GAAFKBP1ACA1CA2POLB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 GAA 892/4885FKBP1A 961/4885CA1 1943/4885

“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.