SCHEMBL20968348

SCHEMBL20968348

CC(C)NC(=O)C(C)(C)S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.39
MME P08473 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
MLYCD O95822 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL152945 0.78 SIGMAR1 (0.40) SIGMAR1TSHRCA12CA1CA2
SCHEMBL24359869 0.77 ACE (0.38) ACEMMEACE2MMP1MMP9
SCHEMBL21666433 0.77 MMP1 (0.45) ACEMMEACE2CA12CA1
SCHEMBL24360274 0.77 ACE (0.38) ACEMMEACE2MMP1MMP9
SCHEMBL24360276 0.77 ACE (0.38) ACEMMEACE2MMP1MMP9
SCHEMBL10145220 0.76 SIGMAR1 (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL18827271 0.75 SIGMAR1 (0.33) SIGMAR1TSHRCA12CA1CA2
SCHEMBL24567506 0.74 TSHR (0.42) SIGMAR1TSHRCA12CA1CA2
SCHEMBL19449450 0.74 MLYCD (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL23188091 0.74 MLYCD (0.39) SIGMAR1TSHRCA12CA1CA2

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-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2019-05-02 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 (2 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-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 ACE 3408/4885MME 610/4885ACE2 2788/4885
US-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 ACE 3408/4885MME 610/4885ACE2 2788/4885

“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.