SCHEMBL889324

SCHEMBL889324

CC(C)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
CYP19A1 P11511 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL12557808 0.93 EPHX1 (0.37) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL8204925 0.88 EPHX1 (0.47) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL3054649 0.86 SMN1; SMN2 (0.54) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL3054655 0.86 SMN1; SMN2 (0.54) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL888745 0.85 MAPK1 (0.35) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL888757 0.85 MAPK1 (0.35) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL15058144 0.85 EPHX1 (0.53) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL4739321 0.85 TSHR (0.55) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL8682268 0.85 EPHX1 (0.53) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL15058008 0.83 SMN1; SMN2 (0.50) EPHX1TSHRCYP3A4CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 EPHX1 1428/4885TSHR 4674/4885CYP3A4 241/4885

“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.