SCHEMBL5774469

SCHEMBL5774469

COc1cc(F)c(C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
CPS1 P31327 1/20 0.37
PRKCZ Q05513 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM6 O15303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 1/20 0.35
CISD2 Q8N5K1 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL23101135 0.89 PRKCZ (0.38) AKR1C3AKR1C2MTNR1AMTNR1BTAAR1
SCHEMBL679324 0.83 GAA (0.45) MTNR1AMTNR1BGRM6CA1CA2
SCHEMBL14289250 0.81 CYP2C9 (0.47) MTNR1AMTNR1BGRM6CA1CA2
SCHEMBL25304437 0.81 CYP2C9 (0.37) MTNR1AMTNR1BCYP3A4HPGDGRM6
SCHEMBL8017091 0.81 CYP3A4 (0.55) TAAR1CYP3A4HPGDCPS1ALDH1A1
SCHEMBL15359768 0.80 GRM6 (0.40) MTNR1AMTNR1BHPGDALDH1A1GRM6
SCHEMBL643173 0.80 AAK1 (0.39) MTNR1AMTNR1BGRM6CA1CA2
SCHEMBL5777968 0.80 CCNB2 (0.36) AKR1C3AKR1C2MTNR1AMTNR1BCYP3A4
SCHEMBL5776178 0.79 CCNB2 (0.36) AKR1C3AKR1C2MTNR1AMTNR1BCYP3A4
SCHEMBL20741075 0.79 LMNA (0.42) HPGDALDH1A1GRM6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 EP disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 US disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 US disclosed
EP-3619205-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-03-11 EP disclosed
WO-2018203235-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-11-08 WO disclosed
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 AKR1C3 181/4885AKR1C2 319/4885MTNR1A 522/4885
US-10954252-B1 Inhibitors of human immunodeficiency virus replication EIF2AK2, REV1, POLR2E AKR1C3 2458/4885AKR1C2 3112/4885MTNR1A 4783/4885

“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.