SCHEMBL23192044

SCHEMBL23192044

CC(C)Cc1ccc(NC(=O)CCOCCOCCOCc2cn(C(C)C)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 5/20 0.40
FOLH1 Q04609 2/20 0.39
DGAT1 O75907 5/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
DDX3X O00571 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
SCHEMBL23197905 0.91 KMT2A (0.43) MAPTSMN1; SMN2DDX3X
SCHEMBL23198166 0.87 DDX3X (0.33) MAPTFOLH1DGAT1DDX3X
SCHEMBL23197899 0.77 NPC1 (0.46) MAPTSMN1; SMN2
SCHEMBL25791661 0.74 P2RX7 (0.34) MAPTSMN1; SMN2DGAT1
SCHEMBL24812536 0.73 GLA (0.37) SMN1; SMN2DGAT1
SCHEMBL22916917 0.71 CYP19A1 (0.38) DGAT1
SCHEMBL29325796 0.71 FOLH1 (0.40) SMN1; SMN2FOLH1DGAT1CA12CA1
SCHEMBL25791676 0.70 CNR1 (0.39) DGAT1
SCHEMBL23011671 0.69 CYP19A1 (0.38) FOLH1DGAT1
SCHEMBL27371572 0.68 CYP19A1 (0.35) DGAT1

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-20210101905-A1 Development of Imaging and Therapeutic Glucose Analogues for Sodium Dependent Glucose Transporters CASE WESTERN RESERVE UNIVERSITY 2021-04-08 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-20210101905-A1 Development of Imaging and Therapeutic Glucose Analogues for Sodium Dependent Glucose Transporters SLC5A1, SLC5A2, SLC2A1 PTGS2 3953/4885GAA 367/4885MAPT 243/4885

“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.