SCHEMBL470279

SCHEMBL470279

COc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.62
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
INSR P06213 1/20 0.39
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
AURKA O14965 1/20 0.39
ABCB1 P08183 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
SCHEMBL12091028 0.91 NR1I2 (0.57) NR1I2MAPTMEN1KMT2AATM
SCHEMBL10174792 0.90 NR1I2 (0.65) NR1I2MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL12091029 0.90 NR1I2 (0.65) NR1I2MAPTMEN1KMT2AKDM4E
SCHEMBL470394 0.90 NR1I2 (0.64) NR1I2MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL12090996 0.88 NR1I2 (0.60) NR1I2MAPTMEN1KMT2AATM
SCHEMBL12091054 0.88 NR1I2 (0.65) NR1I2MAPTKDM4EALDH1A1HPGD
SCHEMBL12090957 0.88 NR1I2 (0.59) NR1I2MAPTMEN1KMT2AKDM4E
SCHEMBL470253 0.86 NR1I2 (0.66) NR1I2MAPTKDM4EALDH1A1HPGD
SCHEMBL12091033 0.86 NR1I2 (0.66) NR1I2MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL12090955 0.86 NR1I2 (0.61) NR1I2MAPTKDM4EALDH1A1ABCB1

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 5 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-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

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 3085/4885MAPT 2620/4885MEN1 4470/4885

“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.