SCHEMBL1901975

SCHEMBL1901975

CC(=C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.58
▸ ELANE P08246 1/20 0.32

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
SCHEMBL59048 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL15435038 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL58338 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL13682227 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL59676 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL15435013 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL59693 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL59443 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL89669 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL60266 1.00 TUBB1 (0.58) TUBB1ELANE

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881829-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES Eisai Co., Ltd. (JP) 2008-01-30 — — EP claimed
US-20060281690-A1 Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yI]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses EISAI CO. LTD. (JP) 2006-12-14 — — US claimed
WO-2006121857-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES EISAI CO., LTD. (JP) 2006-11-16 — — WO claimed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates ZYMEWORKS INC. 2023-01-24 — — US disclosed
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 — — EP disclosed
EP-3087091-B1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC (CA) 2021-10-20 — — EP disclosed
US-10675355-B2 VAR2CSA-drug conjugates VAR2 PHARMACEUTICALS APS (DK) 2020-06-09 — — US disclosed
US-20180117163-A9 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2018-05-03 — — US disclosed
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-08-31 — — US disclosed
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-02-02 — — US disclosed
CN-101189013-A Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yl]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses EISAI CO LTD (JP) 2008-05-28 — — CN disclosed
EP-1881829-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES Eisai Co., Ltd. (JP) 2008-01-30 — — EP disclosed
EP-1881829-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES Eisai Co., Ltd. (JP) 2008-01-30 — — EP disclosed
WO-2006121857-A3 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES EISAI CO LTD (JP) 2007-07-26 — — WO disclosed
US-20060281690-A1 Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yI]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses EISAI CO. LTD. (JP) 2006-12-14 — — US disclosed
US-20060281690-A1 Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yI]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses EISAI CO. LTD. (JP) 2006-12-14 — — US disclosed
US-20060281690-A1 Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yI]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses EISAI CO. LTD. (JP) 2006-12-14 — — US disclosed
WO-2006121857-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES EISAI CO., LTD. (JP) 2006-11-16 — — WO disclosed
WO-2006121857-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES EISAI CO., LTD. (JP) 2006-11-16 — — 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 (7 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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 TUBB1 516/4885ELANE 3483/4885
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 TUBB1 216/4885ELANE 1756/4885
US-10675355-B2 VAR2CSA-drug conjugates VARS1, GUSB, VAV1 TUBB1 216/4885ELANE 1756/4885
US-20180117163-A9 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 TUBB1 216/4885ELANE 1756/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 TUBB1 516/4885ELANE 3483/4885
US-20060281690-A1 Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yI]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses UACA, MALT1, LY96 TUBB1 3903/4885ELANE 2732/4885
US-20170029490-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 TUBB1 516/4885ELANE 3483/4885

“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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