SCHEMBL20007119

SCHEMBL20007119

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
SCN9A Q15858 3/20 0.39
CTSD P07339 4/20 0.39
BACE1 P56817 4/20 0.39
ACE P12821 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
PLIN1 O60240 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PLIN5 Q00G26 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 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
SCHEMBL18180390 1.00 CTSS (0.43) CTSSCTSKSCN9ACTSDBACE1
SCHEMBL18180269 0.84 CTSS (0.47) CTSSCTSKSCN9AACEPTPN1
SCHEMBL18180261 0.83 CTSS (0.46) CTSSCTSKACEALDH1A1KDM4E
SCHEMBL18317296 0.83 CTSS (0.46) CTSSCTSKACEALDH1A1KDM4E
SCHEMBL19962117 0.83 CTSS (0.46) CTSSCTSKSCN9ACTSDBACE1
SCHEMBL18180278 0.83 CTSS (0.47) CTSSCTSKACEPTPN1KDM1A
SCHEMBL19969242 0.83 CTSS (0.53) CTSSCTSKACEPTPN1KDM1A
SCHEMBL18179931 0.83 CTSS (0.53) CTSSCTSKACEPTPN1KDM1A
SCHEMBL29679318 0.83 ACE (0.50) CTSSCTSKSCN9AACEALDH1A1
SCHEMBL10204542 0.83 ACE (0.50) CTSSCTSKSCN9AACEALDH1A1

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
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
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

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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CTSS 1470/4885CTSK 2613/4885SCN9A 4108/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CTSS 1470/4885CTSK 2613/4885SCN9A 4108/4885

“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.