SCHEMBL18057249

SCHEMBL18057249

CN(C(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ACE P12821 1/20 0.41
HPGD P15428 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
TRPA1 O75762 1/20 0.39
EDNRA P25101 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL16681962 0.83 CTSK (0.51) TAS1R3TAS1R1ACEHPGDTAAR1
SCHEMBL16681992 0.83 CTSK (0.51) TAS1R3TAS1R1ACEHPGDTAAR1
SCHEMBL16670450 0.78 TAS1R3 (0.46) TAS1R3TAS1R1ACEHPGDTRPA1
SCHEMBL16670168 0.78 TAS1R3 (0.46) TAS1R3TAS1R1ACEHPGDTRPA1
SCHEMBL16670166 0.78 TAS1R3 (0.46) TAS1R3TAS1R1ACEHPGDTRPA1
SCHEMBL16671524 0.77 TAS1R3 (0.54) TAS1R3TAS1R1ACEHPGDLMNA
SCHEMBL10204542 0.77 ACE (0.50) ACELMNAALDH1A1MAOA
SCHEMBL27010613 0.77 ACE (0.50) ACELMNAALDH1A1MAOA
SCHEMBL29679318 0.77 ACE (0.50) ACELMNAALDH1A1MAOA
SCHEMBL14484813 0.74 NPC1 (0.44) HPGDEDNRANPC1RAB9ASMN1; SMN2

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-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US 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 (2 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G TAS1R3 4744/4885TAS1R1 4622/4885ACE 312/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E TAS1R3 4755/4885TAS1R1 4618/4885ACE 297/4885

“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.