SCHEMBL10215490

SCHEMBL10215490

CC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.56
BRD4 O60885 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EHMT2 Q96KQ7 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL311394 0.89 P2RX7 (0.58) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1005866 0.89 P2RX7 (0.58) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1190522 0.89 P2RX7 (0.58) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL6179972 0.87 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL6179978 0.87 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3337871 0.86 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL10270030 0.86 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3333492 0.86 P2RX7 (0.56) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1189916 0.85 P2RX7 (0.53) P2RX7BRD4HCRTR1HCRTR2MEN1
SCHEMBL2907566 0.85 P2RX7 (0.53) P2RX7BRD4HCRTR1HCRTR2MEN1

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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 P2RX7 3918/4885BRD4 1881/4885HCRTR1 4443/4885

“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.