SCHEMBL16148449

SCHEMBL16148449

Cc1nc2cc(-c3ncc(Cc4ccc(F)cc4)s3)nn2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.71
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.32
PSIP1 O75475 1/20 0.31

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
SCHEMBL16148529 0.91 NR1I2 (0.76) NR1I2KCNH2CYP3A4
SCHEMBL16148492 0.89 NR1I2 (0.71) NR1I2KCNH2CYP3A4PSIP1
SCHEMBL16148503 0.87 NR1I2 (0.78) NR1I2
SCHEMBL16158975 0.86 NR1I2 (0.72) NR1I2KCNH2CYP3A4PSIP1
SCHEMBL470403 0.85 NR1I2 (0.85) NR1I2KCNH2CYP3A4PSIP1
SCHEMBL16112616 0.84 NR1I2 (0.48) NR1I2KCNH2
SCHEMBL16112613 0.84 NR1I2 (0.48) NR1I2KCNH2
SCHEMBL459373 0.84 NR1I2 (1.00) NR1I2CYP3A4PSIP1
SCHEMBL459527 0.84 NR1I2 (1.00) NR1I2CYP3A4PSIP1
SCHEMBL470506 0.84 NR1I2 (1.00) NR1I2CYP3A4PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US claimed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US claimed
EP-2970298-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 EP claimed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO claimed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
EP-2970298-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO disclosed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 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-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS NR1I2 3085/4885KCNH2 4551/4885CYP3A4 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.