SCHEMBL18554667

SCHEMBL18554667

C[C](C)CC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ CASP3 P42574 3/20 0.51
▸ PTPN1 P18031 3/20 0.51
▸ TLR2 O60603 2/20 0.49
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MDM2 Q00987 1/20 0.46

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
SCHEMBL18554656 1.00 KMT2A (0.53) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL17790570 0.90 KMT2A (0.56) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL18554660 0.89 CASP3 (0.58) KMT2ACASP3MDM4TP53MDM2
SCHEMBL18554664 0.89 CASP3 (0.58) KMT2ACASP3MDM4TP53MDM2
SCHEMBL17826082 0.87 KMT2A (0.56) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL29400679 0.87 KMT2A (0.56) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL13658468 0.87 KMT2A (0.56) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL12928621 0.87 KMT2A (0.56) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL14997839 0.87 KMT2A (0.58) KMT2ACASP3PTPN1TLR2MDM4
SCHEMBL20504185 0.87 KMT2A (0.58) KMT2ACASP3PTPN1TLR2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 — — US disclosed
US-20180244713-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2018-08-30 — — US disclosed
EP-3341387-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF Academia Sinica (TW) 2018-07-04 — — EP disclosed
CN-108026138-A Sialyltransferase inhibitors and uses thereof 中央研究院 2018-05-11 — — CN disclosed
WO-2017035501-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2017-03-02 — — WO 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-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 KMT2A 1743/4885CASP3 4384/4885PTPN1 1475/4885
US-20180244713-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ST6GAL1, NEU1, GALNT1 KMT2A 1743/4885CASP3 4384/4885PTPN1 1475/4885

“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.

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