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SCHEMBL18179962

SCHEMBL18179962

Cc1cc(F)cc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.36
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ CIT O14578 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ AKT3 Q9Y243 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ BACE1 P56817 3/20 0.31
▸ CTSD P07339 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21992124 0.85 HPGD (0.35) NR3C1PGRNR3C2NOS1NOS2
SCHEMBL18180243 0.82 CIT (0.36) CITAKT1AKT2AKT3MAOB
SCHEMBL18181044 0.81 CIT (0.36) CITAKT1AKT2AKT3MAOB
SCHEMBL18181357 0.81 CIT (0.36) CITAKT1AKT2AKT3MAOB
SCHEMBL18179956 0.80 CIT (0.37) CITAKT1AKT2AKT3MAOB
SCHEMBL18180281 0.80 CIT (0.39) SLC7A5CITAKT1AKT2AKT3
SCHEMBL18317595 0.80 CIT (0.39) CITAKT1MEN1KMT2A
SCHEMBL18180401 0.80 CIT (0.39) CITAKT1MEN1KMT2A
SCHEMBL18180384 0.80 CIT (0.35) CITAKT1AKT2AKT3MAOB
SCHEMBL19999807 0.79 CIT (0.39) CITAKT1AKT2AKT3MAOB

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-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 — — WO disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 — — 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 (3 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H SLC7A5 1551/4885NR3C1 2748/4885PGR 3093/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H SLC7A5 1551/4885NR3C1 2748/4885PGR 3093/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E SLC7A5 1758/4885NR3C1 2931/4885PGR 2599/4885

“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.