SCHEMBL8134019

SCHEMBL8134019

COC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CTSB P07858 1/20 0.45
P2RX3 P56373 1/20 0.45
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
UCHL1 P09936 1/20 0.37
MCL1 Q07820 4/20 0.36
MAPK7 Q13164 1/20 0.36
TRPA1 O75762 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL3373503 1.00 CYP3A4 (0.49) CYP3A4CTSBP2RX3KDM4ENPC1
SCHEMBL8142622 0.92 CYP3A4 (0.48) CYP3A4CTSBP2RX3KDM4ENPC1
SCHEMBL3671701 0.92 CYP3A4 (0.48) CYP3A4CTSBP2RX3KDM4ENPC1
SCHEMBL10228383 0.92 CYP3A4 (0.48) CYP3A4CTSBP2RX3KDM4ENPC1
SCHEMBL375051 0.92 CYP3A4 (0.48) CYP3A4CTSBP2RX3KDM4ENPC1
SCHEMBL12558060 0.91 CYP3A4 (0.47) CYP3A4CTSBP2RX3KDM4ENPC1
SCHEMBL3375479 0.86 CYP3A4 (0.65) CYP3A4CTSBP2RX3KDM4EROCK2
SCHEMBL16318729 0.85 CCNT1 (0.42) CYP3A4CTSBP2RX3CCNT1CDK9
SCHEMBL16318728 0.85 CCNT1 (0.42) CYP3A4CTSBP2RX3CCNT1CDK9
SCHEMBL8195379 0.85 CYP3A4 (0.42) CYP3A4CTSBP2RX3KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CTSB 630/4885P2RX3 2759/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CTSB 630/4885P2RX3 2759/4885

“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.