SCHEMBL458952

SCHEMBL458952

Cc1nc2cc(-c3ccc4c(c3)CCCC4)nn2c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.60
PSIP1 O75475 1/20 0.46
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL459320 1.00 NR1I2 (0.60) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL470438 0.97 NR1I2 (0.63) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL10175404 0.94 NR1I2 (0.61) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL12091046 0.94 NR1I2 (0.68) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL10175634 0.92 NR1I2 (0.51) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL461802 0.92 NR1I2 (0.61) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL10174947 0.90 NR1I2 (0.61) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL470388 0.89 NR1I2 (0.63) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL461875 0.89 PSIP1 (0.56) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL462642 0.89 PSIP1 (0.56) NR1I2PSIP1CYP3A4SMN1; SMN2ALDH1A1

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 9 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
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
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
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US 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
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 NR1I2 3085/4885PSIP1 1676/4885CYP3A4 1719/4885

“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.