SCHEMBL5461012

SCHEMBL5461012

CC1=C(C(=O)O)C(c2ccccc2F)C(C(=O)OC(C)(C)C)=C(C)N1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.42
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
PDE5A O76074 1/20 0.37
PYGM P11217 6/20 0.37
PYGL P06737 5/20 0.37
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 1/20 0.35
TBXAS1 P24557 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 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
SCHEMBL4789808 0.82 CACNA1C (0.48) NR3C2GAATSHRPYGMPYGL
SCHEMBL3027731 0.77 NR1I2 (0.52) NR3C2GAATSHRLMNAHTT
SCHEMBL9505359 0.72 KDM4E (0.49) GAATSHRPYGMPYGLLMNA
SCHEMBL8511172 0.69 CYP2C9 (0.45) GAATSHRPYGMPYGLLMNA
SCHEMBL6950023 0.69 LMNA (0.46) NR3C2GAATSHRPYGMPYGL
SCHEMBL8700129 0.68 GAA (0.54) GAATSHRLMNANR1I2CYP3A4
SCHEMBL3024692 0.68 NR3C2 (0.51) NR3C2TSHRLMNAHTTNR1I2
SCHEMBL6947702 0.67 PYGM (0.53) NR3C2PYGMPYGLKMT2A
SCHEMBL4216164 0.64 CES2 (0.52) GAAHTTCYP2C19MEN1KMT2A
SCHEMBL9633683 0.64 HTT (0.59) GAATSHRPYGMPYGLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 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 (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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 NR3C2 3147/4885GAA 814/4885TSHR 4253/4885

“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.