SCHEMBL470378

SCHEMBL470378

COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.50
PSIP1 O75475 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10175499 0.94 NR1I2 (0.48) NR1I2PSIP1MAPTKDM4EHSD17B10
SCHEMBL470382 0.92 NR1I2 (0.47) NR1I2PSIP1MAPTKDM4ETP53
SCHEMBL462585 0.92 NR1I2 (0.59) NR1I2PSIP1MAPTKDM4EHSD17B10
SCHEMBL457473 0.92 NR1I2 (0.59) NR1I2PSIP1MAPTKDM4EHSD17B10
SCHEMBL10175634 0.88 NR1I2 (0.51) NR1I2PSIP1MAPTKDM4EPOLB
SCHEMBL461199 0.87 PSIP1 (0.42) NR1I2PSIP1MAPTKDM4EHSD17B10
SCHEMBL461198 0.87 PSIP1 (0.42) NR1I2PSIP1MAPTKDM4EHSD17B10
SCHEMBL461875 0.85 PSIP1 (0.56) NR1I2PSIP1KDM4ENPC1RAB9A
SCHEMBL462642 0.85 PSIP1 (0.56) NR1I2PSIP1KDM4ENPC1RAB9A
SCHEMBL462716 0.85 NR1I2 (0.49) NR1I2MAPTKDM4EHSD17B10TP53

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 3085/4885PSIP1 1676/4885MAPT 2620/4885

“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.