SCHEMBL21159808

SCHEMBL21159808

O=C(O)[C@H]1CC[C@@H](NC(=S)NN(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.69
LMNA P02545 1/20 0.69
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42
MAPT P10636 2/20 0.41
ALOX12 P18054 2/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
HPGD P15428 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL21160366 1.00 GAA (0.69) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21085093 0.85 GAA (0.49) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21159803 0.85 GAA (0.49) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL22382010 0.82 GAA (0.73) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21159809 0.82 GAA (0.73) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19924470 0.82 LMNA (1.00) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21160014 0.76 GAA (0.63) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29062908 0.71 RAB9A (0.55) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL21160004 0.71 RAB9A (0.49) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4001220 0.70 NPC1 (0.67) GAAMEN1KMT2ASMN1; SMN2ALDH1A1

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-10759749-B2 Therapeutic agent for diabetes JCR PHARMACEUTICALS CO., LTD. (JP) 2020-09-01 US disclosed
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR PHARMACEUTICALS CO., LTD. (JP) 2019-07-04 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-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES GPR119, IAPP, DPP4 GAA 101/4885LMNA 4657/4885MEN1 4253/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 GAA 58/4885LMNA 4517/4885MEN1 3662/4885

“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.