SCHEMBL18329323

SCHEMBL18329323

CC(O)C(NC(=O)C(C)(C)C)C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
MME P08473 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
SCHEMBL17373361 0.82 CA2 (0.39) TSHRCA2CA1MME
SCHEMBL28433567 0.82 CA2 (0.39) TSHRCA2CA1MME
SCHEMBL17373358 0.82 CA2 (0.39) TSHRCA2CA1MME
SCHEMBL29065235 0.72 SMN1; SMN2 (0.38) CA2CA1
SCHEMBL17432119 0.71 GAA (0.33)
SCHEMBL2553949 0.71 TSHR (0.34) TSHRCA2CA1
SCHEMBL18329324 0.71 TSHR (0.34) TSHRCA2CA1
Pivalate SCHEMBL10534446 0.71 POLB (0.34) TSHRCA1
SCHEMBL9341542 0.69 ALDH1A1 (0.43) TSHRCA2CA1MME
SCHEMBL9805189 0.69 ALDH1A1 (0.43) TSHRCA2CA1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170028075-A1 INJECTABLE DENDRIMER HYDROGEL NANOPARTICLES Ashvattha Therapeutics, Inc. 2017-02-02 US claimed
US-9526794-B2 Injectable dendrimer hydrogel nanoparticles WAYNE STATE UNIVERSITY (US) 2016-12-27 US claimed

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-20170028075-A1 INJECTABLE DENDRIMER HYDROGEL NANOPARTICLES PAM, UACA, FLT1 TSHR 288/4885CA2 4153/4885CA1 4603/4885

“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.