SCHEMBL24360614

SCHEMBL24360614

CCCCCC(C)C(=O)[C@@H](NC)C(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
ACE2 Q9BYF1 1/20 0.39
MMP3 P08254 13/20 0.38
MMP1 P03956 10/20 0.38
MMP2 P08253 9/20 0.38
MMP7 P09237 4/20 0.38
MMP9 P14780 3/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
CA2 P00918 1/20 0.36
FDPS P14324 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL24574406 0.95 CA1 (0.39) CA1MMP3MMP1MMP2MMP7
SCHEMBL24360629 0.88 MAPK1 (0.32)
SCHEMBL24574563 0.85 MMP3 (0.44) CA1MMP3MMP1MMP2MMP7
SCHEMBL24574483 0.83 CA2 (0.47) CA1MMP3MMP1MMP2MMP7
SCHEMBL24575165 0.81 CA2 (0.43) CA1MMP3MMP1MMP2MMP7
SCHEMBL24360754 0.80
SCHEMBL351185 0.75 CA1 (0.74) CA1ACE2CA2FDPSFFAR4
SCHEMBL3231557 0.73 CA1 (0.71) CA1ACE2CA2FDPSFFAR4
SCHEMBL1922411 0.73 CA1 (0.71) CA1ACE2CA2FDPSFFAR4
SCHEMBL2710871 0.73 CA1 (0.71) CA1ACE2CA2FDPSFFAR4

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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 US disclosed
US-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-28 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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 CA1 607/4885ACE2 3822/4885MMP3 1867/4885
US-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SHBG, HSD17B7, CYP17A1 CA1 2329/4885ACE2 4044/4885MMP3 3083/4885

“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.