SCHEMBL21602829

SCHEMBL21602829

CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCCCCN=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ TDP1 Q9NUW8 7/20 0.41
▸ ATM Q13315 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL23280888 0.92 CAPN1 (0.44) KMT2APOLBNPSR1MEN1HDAC1
SCHEMBL17381374 0.91 TDP1 (0.43) KMT2APOLBNPSR1MEN1HDAC1
SCHEMBL21602828 0.89 FOLH1 (0.47) KMT2AMEN1HDAC1HDAC8TDP1
SCHEMBL21902490 0.88 MEN1 (0.47) KMT2AMEN1HDAC1HDAC8TDP1
SCHEMBL17381377 0.87 FOLH1 (0.46) KMT2AMEN1HDAC1HDAC8NOD1
SCHEMBL21541108 0.85 TDP1 (0.44) KMT2APOLBNPSR1MEN1HDAC1
SCHEMBL21602827 0.84 CYP1A2 (0.49) KMT2APOLBHDAC1MAPTKDM4E
SCHEMBL13399641 0.82 KMT2A (0.70) KMT2APOLBNPSR1MEN1TDP1
SCHEMBL23281037 0.82 GLP1R (0.49) KMT2APOLBNOD1FOLH1
SCHEMBL21541111 0.81 MEN1 (0.49) KMT2APOLBNPSR1MEN1HDAC1

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-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF SANTOLECAN PHARMACEUTICALS LLC 2021-07-29 — — US disclosed
WO-2019242691-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 圣多利康制药责任有限公司 2019-12-26 — — 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 (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-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF DDOST, UGT2B17, UGT1A7 KMT2A 3287/4885POLB 3703/4885NPSR1 1006/4885

“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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