SCHEMBL17258331

SCHEMBL17258331

O=CC=CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.52
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL10315008 1.00 KIF11 (0.52) KIF11SIRT2
SCHEMBL17258330 1.00 KIF11 (0.52) KIF11SIRT2
SCHEMBL10315743 0.88 KIF11 (0.47) KIF11SIRT2
SCHEMBL1526445 0.83 KIF11 (0.57) KIF11SIRT2
SCHEMBL18764637 0.80 KIF11 (0.53) KIF11
SCHEMBL18764634 0.80 KIF11 (0.53) KIF11
SCHEMBL18764574 0.79 KIF11 (0.49) KIF11
SCHEMBL18764694 0.79 KIF11 (0.49) KIF11
SCHEMBL18764571 0.79 KIF11 (0.49) KIF11
SCHEMBL18764587 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 12 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 claimed
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
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 claimed
US-11149062-B2 HDAC inhibitors and methods of treatment using the same UWM RESEARCH FOUNDATION, INC. (US) 2021-10-19 US disclosed
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
US-20180258135-A1 NOVEL HDAC INHIBITORS AND METHODS OF TREATMENT USING THE SAME UWM RESEARCH FOUNDATION, INC. 2018-09-13 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
WO-2017039726-A1 NOVEL HDAC INHIBITORS AND METHODS OF TREATMENT USING THE SAME UWM RESEARCH FOUNDATION, INC. (US) 2017-03-09 WO disclosed
US-9469656-B2 HDAC inhibitors as anti-cancer agents THE UNIVERSITY OF TOLEDO (US) 2016-10-18 US disclosed
US-20150329560-A1 HDAC Inhibitors as Anti-Cancer Agents THE UNIVERSITY OF TOLEDO (US) 2015-11-19 US disclosed
WO-2015175770-A1 HDAC INHIBITORS AS ANTI-CANCER AGENTS THE UNIVERSITY OF TOLEDO (US) 2015-11-19 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 (5 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 1550/4885SIRT2 3962/4885
US-20150329560-A1 HDAC Inhibitors as Anti-Cancer Agents HDAC1, HDAC4, HDAC5 KIF11 1452/4885SIRT2 60/4885
US-11149062-B2 HDAC inhibitors and methods of treatment using the same HDAC4, HDAC2, HDAC8 KIF11 1702/4885SIRT2 64/4885
US-20180258135-A1 NOVEL HDAC INHIBITORS AND METHODS OF TREATMENT USING THE SAME HDAC4, HDAC1, HDAC2 KIF11 1426/4885SIRT2 51/4885
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 1467/4885SIRT2 3781/4885

“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.