SCHEMBL25840464

SCHEMBL25840464

CCCN(CCO)C(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
TP53 P04637 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL10716993 0.92 TSHR (0.39) CA12CA2CA9LMNATSHR
SCHEMBL12514257 0.92 CA12 (0.43) CA12CA2CA9LMNATSHR
SCHEMBL25570266 0.84 CA12 (0.40) CA12CA2CA9LMNATSHR
SCHEMBL24925711 0.80 CHRNB2 (0.35) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7819283 0.80 LMNA (0.47) CA12CA2CA9LMNATSHR
SCHEMBL12507254 0.77 LMNA (0.53) CA12CA2CA9LMNAMAPK1
SCHEMBL11599452 0.76 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6896003 0.76 CA2 (0.40) CA12CA2CA9LMNATSHR
SCHEMBL4587886 0.76 CA12 (0.40) CA12CA2CA9LMNATSHR
SCHEMBL10087788 0.76 CA12 (0.40) CA12CA2CA9LMNATSHR

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-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR CA12 4858/4885CA2 4651/4885CA9 4818/4885

“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.