SCHEMBL20545940

SCHEMBL20545940

COC(=O)C(NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.45
TP53 P04637 2/20 0.45
CASP3 P42574 3/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 1/20 0.40
PTPN1 P18031 1/20 0.39
SLC17A5 Q9NRA2 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
SCHEMBL18790463 0.94 CASP3 (0.49) MDM4TP53CASP3KMT2AKIF11
SCHEMBL28565897 0.90 MDM4 (0.47) MDM4TP53CASP3KMT2AKIF11
SCHEMBL28565899 0.90 MDM4 (0.47) MDM4TP53CASP3KMT2AKIF11
SCHEMBL17446817 0.90 MDM4 (0.47) MDM4TP53CASP3KMT2AKIF11
SCHEMBL30758116 0.89 PTPN1 (0.45) MDM4TP53CASP3PTPN1
SCHEMBL29812486 0.89 MDM4 (0.43) MDM4TP53CASP3KMT2APTPN1
SCHEMBL12744189 0.89 MDM4 (0.52) MDM4TP53CASP3KMT2AKIF11
SCHEMBL3212833 0.89 MDM4 (0.52) MDM4TP53CASP3KMT2AKIF11
SCHEMBL30758115 0.88 PTPN1 (0.45) MDM4TP53PTPN1
SCHEMBL18764578 0.88 CASP3 (0.49) MDM4TP53CASP3KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312538-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)-7-ETHYLDENE-4,21-BIS(1-METHYL-ETHYL)-2-OXA-12,13-DITHIA-5,8,20,23-TETRAAZABICYCLO [8.7.6]TRICOS-16-ENE-3, 6, 9, 19, 22-PENTONE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-11-01 US claimed
US-10562931-B2 Process for the preparation of (1S, 4S, 7Z, 10S, 16E, 21R)-7-ethyldene-4,21-bis(1-methyl-ethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3, 6, 9, 19, 22-pentone MSN LABORATORIES PRIVATE LIMITED (IN) 2020-02-18 US disclosed
US-20180312538-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)-7-ETHYLDENE-4,21-BIS(1-METHYL-ETHYL)-2-OXA-12,13-DITHIA-5,8,20,23-TETRAAZABICYCLO [8.7.6]TRICOS-16-ENE-3, 6, 9, 19, 22-PENTONE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-11-01 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-20180312538-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)-7-ETHYLDENE-4,21-BIS(1-METHYL-ETHYL)-2-OXA-12,13-DITHIA-5,8,20,23-TETRAAZABICYCLO [8.7.6]TRICOS-16-ENE-3, 6, 9, 19, 22-PENTONE IL17A, HSD17B7, SULT1E1 MDM4 1070/4885TP53 4097/4885CASP3 1040/4885
US-10562931-B2 Process for the preparation of (1S, 4S, 7Z, 10S, 16E, 21R)-7-ethyldene-4,21-bis(1-methyl-ethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3, 6, 9, 19, 22-pentone SULT1E1, IL17A, TET1 MDM4 1462/4885TP53 4374/4885CASP3 961/4885

“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.