SCHEMBL6693500

SCHEMBL6693500

Cc1c(F)cccc1CC[C@](O)(CC(=O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KEAP1 Q14145 1/20 0.33
PTGS2 P35354 1/20 0.33
P2RX7 Q99572 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
POLB P06746 2/20 0.33
RIPK1 Q13546 1/20 0.33
SLC13A2 Q13183 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
TRPA1 O75762 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
SCHEMBL6302674 1.00 SLC13A5 (0.40) SLC13A5SMN1; SMN2CYP2C19HIF1AKEAP1
SCHEMBL6302907 0.83 SMN1; SMN2 (0.33) SLC13A5SMN1; SMN2P2RX7PDCD1CD274
SCHEMBL6297903 0.81 NLRP3 (0.39) SMN1; SMN2POLBRIPK1
SCHEMBL6297901 0.81 NLRP3 (0.39) SMN1; SMN2POLBRIPK1
SCHEMBL6296754 0.78 SLC13A5 (0.43) SLC13A5CYP2C19HIF1APDCD1CD274
SCHEMBL6296751 0.78 SLC13A5 (0.43) SLC13A5CYP2C19HIF1APDCD1CD274
SCHEMBL6693952 0.78 SLC13A5 (0.43) SLC13A5CYP2C19HIF1APDCD1CD274
SCHEMBL6296103 0.77 SLC13A5 (0.45) SLC13A5
SCHEMBL6296538 0.76 NR3C2 (0.38) SLC13A5P2RX7
SCHEMBL6696484 0.76 NR3C2 (0.38) 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 SLC13A5 4373/4885SMN1; SMN2 4359/4885CYP2C19 932/4885

“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.