SCHEMBL461875

SCHEMBL461875

Cc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccc5c(c4)CCCC5)nn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.56
NR1I2 O75469 1/20 0.56
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL462642 1.00 PSIP1 (0.56) PSIP1NR1I2KDM4ECYP3A4MEN1
SCHEMBL462585 0.93 NR1I2 (0.59) PSIP1NR1I2KDM4EHTT
SCHEMBL457473 0.93 NR1I2 (0.59) PSIP1NR1I2KDM4EHTT
SCHEMBL461811 0.93 NR1I2 (0.55) PSIP1NR1I2KDM4ECYP3A4HPGD
SCHEMBL458941 0.93 NR1I2 (0.55) PSIP1NR1I2KDM4ECYP3A4HPGD
SCHEMBL10175499 0.92 NR1I2 (0.48) PSIP1NR1I2KDM4ECYP3A4MEN1
SCHEMBL12091019 0.90 NR1I2 (0.63) PSIP1NR1I2KDM4ECYP3A4HPGD
SCHEMBL461307 0.90 NR1I2 (0.54) PSIP1NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL458952 0.89 NR1I2 (0.60) PSIP1NR1I2KDM4ECYP3A4HPGD
SCHEMBL459320 0.89 NR1I2 (0.60) PSIP1NR1I2KDM4ECYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS PSIP1 1676/4885NR1I2 3085/4885KDM4E 2143/4885

“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.