SCHEMBL18171808

SCHEMBL18171808

C[C@H](NC(=O)N[C@@H](C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 2/20 0.54
CTSK P43235 3/20 0.52
TDP1 Q9NUW8 2/20 0.51
CTSB P07858 1/20 0.50

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
SCHEMBL1913626 0.90 ALDH1A1 (0.55) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL26239298 0.88 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1ATMTDP1
SCHEMBL15080869 0.88 CTSK (0.61) ATMCTSKCTSB
SCHEMBL30946598 0.88 CTSK (0.61) ATMCTSKCTSB
SCHEMBL29587852 0.88 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1ATMTDP1
SCHEMBL23056471 0.87 MAPT (0.54) MAPTL3MBTL1ALDH1A1ATMCTSK
SCHEMBL22692566 0.86 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL13296295 0.85 GAA (0.52) MAPTL3MBTL1ALDH1A1RAB9AATM
SCHEMBL29233276 0.85 ATM (0.51) MAPTL3MBTL1ALDH1A1ATMCTSK
SCHEMBL10099537 0.85 GAA (0.52) MAPTL3MBTL1ALDH1A1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP 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 (1 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E MAPT 1843/4885L3MBTL1 2230/4885ALDH1A1 2545/4885

“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.