SCHEMBL18530177

SCHEMBL18530177

CC1(C)OB(c2cc(F)c3c(c2)CCOC3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
ROCK1 Q13464 1/20 0.36
P2RX7 Q99572 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
SCHEMBL31394505 0.87 LPL (0.39) MAPK1LPLLIPGROCK1P2RX7
SCHEMBL25425149 0.79 MAPK1 (0.35) MAPK1
SCHEMBL30716028 0.78 KDM4E (0.36) MAPK1
SCHEMBL25425144 0.78 KDM4E (0.36) MAPK1
SCHEMBL26323113 0.77 LPL (0.34) MAPK1LPLLIPGROCK1
SCHEMBL31394217 0.77 LPL (0.38) MAPK1LPLLIPGROCK1P2RX7
SCHEMBL4998784 0.75 LPL (0.39) LPLLIPGROCK1P2RX7
SCHEMBL16336538 0.75 MAPK1 (0.45) MAPK1LPLLIPGROCK1P2RX7
SCHEMBL31001988 0.75 MAPK1 (0.41) MAPK1LPLLIPGROCK1P2RX7
SCHEMBL20451563 0.75 MAPK1 (0.41) MAPK1LPLLIPGROCK1P2RX7

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-10106504-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-10-23 US disclosed
US-20180222864-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-08-09 US disclosed
EP-3337798-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-27 EP disclosed
WO-2017029631-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-02-23 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 (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-20180222864-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT MAPK1 1028/4885LPL 4631/4885LIPG 4153/4885
US-10106504-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication TYMP, TYMS, DUT MAPK1 1028/4885LPL 4631/4885LIPG 4153/4885

“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.