SCHEMBL21811263

SCHEMBL21811263

CCC(C(=O)O)n1nc(C(F)F)c2c1CC1CC21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.32
UGCG Q16739 1/20 0.32
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL20371514 0.73
SCHEMBL31395271 0.71 MAPK1 (0.36) KDM4EALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL14487668 0.62
SCHEMBL14487772 0.58 LMNA (0.54) ALDH1A1
SCHEMBL20371653 0.58 IDO1 (0.35) CNR1CNR2
SCHEMBL6962063 0.57 KDM4E (0.47) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL15730082 0.57 CNR1 (0.35) CNR1CNR2
SCHEMBL1120262 0.56 KDM4E (0.36) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL21996013 0.56 NPC1 (0.37) CNR1CNR2
SCHEMBL1120194 0.56 KDM4E (0.38) CNR1CNR2KDM4EALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919897-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2024-03-05 US disclosed
US-20220089598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-03-24 US disclosed
WO-2020053811-A9 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-03-03 WO disclosed
US-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 US disclosed
EP-3849982-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-07-21 EP disclosed
WO-2020053811-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-03-19 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 (4 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-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CNR1 4216/4885UGCG 2483/4885CNR2 4785/4885
US-20220089598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CNR1 4285/4885UGCG 2610/4885CNR2 4809/4885
US-11919897-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CNR1 4285/4885UGCG 2610/4885CNR2 4809/4885
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CNR1 4285/4885UGCG 2610/4885CNR2 4809/4885

“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.