SCHEMBL19603333

SCHEMBL19603333

O=C(/C=C/c1ccc(F)cc1)c1cc(Br)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
NPSR1 Q6W5P4 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
MAOB P27338 4/20 0.74
MAOA P21397 2/20 0.74
ACHE P22303 2/20 0.65
BACE1 P56817 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.62
AR P10275 2/20 0.59
CHRNA7 P36544 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CTSL P07711 1/20 0.54

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
SCHEMBL5424563 0.85 MAOB (0.74) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL5424561 0.85 MAOB (0.74) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL4362332 0.85 CHRNA7 (0.82) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL7956659 0.85 MAPT (0.74) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL2376112 0.85 MAPT (0.74) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL28906335 0.84 MAPT (0.72) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL2374997 0.82 MAPT (0.70) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL10830261 0.82 AR (0.78) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL2374989 0.82 MAPT (0.70) MAPTNPSR1L3MBTL1MAOBMAOA
SCHEMBL5088006 0.82 MAPT (0.76) MAPTNPSR1L3MBTL1MAOBMAOA

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-10407410-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-09-10 US disclosed
US-10407410-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-09-10 US disclosed
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
WO-2017195113-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-11-16 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-10407410-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication TYMP, TYMS, DUT MAPT 1860/4885NPSR1 4790/4885L3MBTL1 3250/4885
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT MAPT 1860/4885NPSR1 4790/4885L3MBTL1 3250/4885

“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.