SCHEMBL1978518

SCHEMBL1978518

CC1(Cc2ccc(F)cc2)CC(=O)c2cc(Br)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
MAOB P27338 3/20 0.43
MAPT P10636 1/20 0.42
PBRM1 Q86U86 1/20 0.39
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
KCNH2 Q12809 1/20 0.38
CYP1A1 P04798 1/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 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
SCHEMBL1980452 0.82 MAOB (0.43) AKT1MAOBMAPTHDAC3HDAC4
SCHEMBL19603483 0.81 LPL (0.42) AKT1MAOBMAPTHDAC3HDAC4
SCHEMBL1978480 0.79 KDM4E (0.47) AKT1MAOBMAPTPBRM1CYP1A1
SCHEMBL1978508 0.78 MAOB (0.44) AKT1MAOBMAPTHSD17B10SMN1; SMN2
SCHEMBL10237816 0.78 AKT1 (0.54) AKT1MAOBMAPTPBRM1CYP1A1
SCHEMBL8514081 0.77 AKT1 (0.56) AKT1MAOBMAPTPBRM1CYP1A1
SCHEMBL874004 0.75 AKT1 (0.60) AKT1MAOBMAPTPBRM1CYP1A1
SCHEMBL1821389 0.74 MAPT (0.71) MAOBMAPTPBRM1HSD17B10NPC1
SCHEMBL1981849 0.71 AKT1 (0.42) AKT1MAOBMAPTPBRM1CYP1A1
SCHEMBL8512880 0.71 AKT1 (0.47) AKT1MAOBMAPTPBRM1CYP1A1

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 8 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
EP-3455215-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-03-20 EP 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
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
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 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 AKT1 2259/4885MAOB 823/4885MAPT 1860/4885
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT AKT1 2259/4885MAOB 823/4885MAPT 1860/4885

“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.