SCHEMBL6696484

SCHEMBL6696484

Cc1cc(F)ccc1CC[C@](O)(CC(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
SLC13A5 Q86YT5 2/20 0.36
ACLY P53396 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MMP1 P03956 3/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
P2RX7 Q99572 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PPARG P37231 1/20 0.33
TBXA2R P21731 1/20 0.32

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
SCHEMBL6296538 1.00 NR3C2 (0.38) NR3C2SLC13A5ACLYNPSR1FFAR1
SCHEMBL6297601 0.81 NR3C2 (0.35) NR3C2MMP1PPARG
SCHEMBL6297603 0.81 NR3C2 (0.35) NR3C2MMP1PPARG
SCHEMBL6691221 0.79 SLC13A5 (0.44) SLC13A5FFAR1
SCHEMBL6692548 0.79 SLC13A5 (0.44) SLC13A5FFAR1
SCHEMBL6297597 0.79 SLC13A5 (0.44) SLC13A5FFAR1
SCHEMBL6692381 0.77 TAAR1 (0.41) SLC13A5FFAR1
SCHEMBL6692744 0.77 TAAR1 (0.41) SLC13A5FFAR1
SCHEMBL6298495 0.77 TAAR1 (0.41) SLC13A5FFAR1
SCHEMBL6693500 0.76 SLC13A5 (0.40) SLC13A5P2RX7

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-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD NR3C2 4259/4885SLC13A5 4373/4885ACLY 2532/4885

“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.