SCHEMBL6367386

SCHEMBL6367386

S=CCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.48
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3196392 0.87 KIF11 (0.55) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL3188908 0.84 KIF11 (0.52) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL11034545 0.77 KIF11 (0.48) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL28954005 0.77 KIF11 (0.48) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL1974668 0.77 KIF11 (0.48) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL1149158 0.77 KIF11 (0.64) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL3176030 0.76 KIF11 (0.46) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL27656873 0.70 KIF11 (0.62) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL8361192 0.70 KIF11 (0.42) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28263648 0.70 KIF11 (0.55) KIF11CYP11B1CYP11B2KCNH2CYP3A4

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 7 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
US-20050266496-A1 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-12-01 US disclosed
US-20030144260-A1 Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-31 US disclosed
US-5238922-A Anticancer agents MERCK & CO., INC. (US) 1993-08-24 US disclosed
EP-0535731-A2 Inhibitors of farnesyl protein transferase MERCK & CO. INC. (US) 1993-04-07 EP 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 (4 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 1550/4885CYP11B1 5/4885CYP11B2 11/4885
US-20030144260-A1 Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method AADAC, ABCG2, HDAC3 KIF11 3317/4885CYP11B1 61/4885CYP11B2 32/4885
US-20050266496-A1 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads AADAC, ABCG2, RICTOR KIF11 3214/4885CYP11B1 42/4885CYP11B2 28/4885
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 1467/4885CYP11B1 5/4885CYP11B2 13/4885

“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.