SCHEMBL16670679

SCHEMBL16670679

CN(C(=O)C(Cc1ccccc1)NC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MMP9 P14780 2/20 0.45
PLAUR Q03405 1/20 0.45
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL16682036 0.91 MAPT (0.49) HPGDALDH1A1MAPTKDM1AMAOA
SCHEMBL4562229 0.90 HPGD (0.45) HPGDALDH1A1MAPTKDM1AMAOA
SCHEMBL4562228 0.90 HPGD (0.45) HPGDALDH1A1MAPTKDM1AMAOA
SCHEMBL30595262 0.90 HPGD (0.45) HPGDALDH1A1MAPTKDM1AMAOA
SCHEMBL16671524 0.89 TAS1R3 (0.54) HPGDALDH1A1TAS1R3TAS1R1MMP9
SCHEMBL14556097 0.88 HPGD (0.43) HPGDALDH1A1MAPTKDM1AMAOA
SCHEMBL16682076 0.87 MMP9 (0.46) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL29679318 0.87 ACE (0.50) ALDH1A1KDM1AMAOACTSLLMNA
SCHEMBL18041078 0.87 SMN1; SMN2 (0.44) HPGDALDH1A1MAPTKDM1AMAOA
SCHEMBL10204542 0.87 ACE (0.50) ALDH1A1KDM1AMAOACTSLLMNA

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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G HPGD 980/4885ALDH1A1 3247/4885MAPT 1886/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E HPGD 814/4885ALDH1A1 3035/4885MAPT 2033/4885

“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.