SCHEMBL18764571

SCHEMBL18764571

O=C(O)/C=C\CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.49
DNMT1 P26358 1/20 0.40
SLC6A1 P30531 1/20 0.40
SLC6A11 P48066 1/20 0.40

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
SCHEMBL18764574 1.00 KIF11 (0.49) KIF11DNMT1SLC6A1SLC6A11
SCHEMBL18764694 1.00 KIF11 (0.49) KIF11DNMT1SLC6A1SLC6A11
SCHEMBL18764566 0.83 KIF11 (0.46) KIF11
SCHEMBL18764567 0.83 KIF11 (0.46) KIF11
SCHEMBL18764690 0.81 MAPT (0.54) KIF11
SCHEMBL18764689 0.81 MAPT (0.54) KIF11
SCHEMBL18790477 0.81 MAPT (0.54) KIF11
SCHEMBL10315008 0.79 KIF11 (0.52) KIF11
SCHEMBL17258331 0.79 KIF11 (0.52) KIF11
SCHEMBL17258330 0.79 KIF11 (0.52) KIF11

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-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
WO-2017068596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)- 7-ETHYLIDENE-4,21-BIS(1-METHYLETHYL)-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) 2017-04-27 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-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 KIF11 1550/4885DNMT1 80/4885SLC6A1 4626/4885
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 KIF11 1467/4885DNMT1 51/4885SLC6A1 4463/4885

“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.