SCHEMBL5144573

SCHEMBL5144573

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](O)C[C@H]1C(=O)N1CCC(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 6/20 0.32
DPP7 Q9UHL4 3/20 0.32
FAP Q12884 2/20 0.32
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL5998597 0.79 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL5999934 0.72 KMT2A (0.45) DPP4DPP7DPP8
SCHEMBL1302820 0.72 LMNA (0.44) LMNATHRBCYP2C19
SCHEMBL3955359 0.65 LMNA (0.39) LMNATHRBCYP2C19
SCHEMBL3954238 0.65 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL1140605 0.63 DPP4 (0.38) CYP2C19DPP4DPP7FAPDPP8
SCHEMBL4765447 0.62 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL3949961 0.62 LMNA (0.33) LMNATHRBCYP2C19
SCHEMBL13002698 0.62 DPP4 (0.41) DPP4DPP7FAPDPP8DPP9
SCHEMBL6234024 0.61 LMNA (0.35) LMNATHRBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291618-B2 Therapeutic compounds PFIZER INC (US) 2007-11-06 US disclosed
US-20070161664-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2007-07-12 US disclosed
US-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 US disclosed
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 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 (3 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-20050256310-A1 Therapeutic compounds REN, SLC5A1, SLC5A2 LMNA 1574/4885THRB 2657/4885CYP2C19 257/4885
US-20070161664-A1 THERAPEUTIC COMPOUNDS SLC5A2, SLC5A1, REN LMNA 2178/4885THRB 1093/4885CYP2C19 1970/4885
US-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN LMNA 2178/4885THRB 1093/4885CYP2C19 1970/4885

“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.