SCHEMBL11956479

SCHEMBL11956479

CC(C)NCCCC[C@@H](NC(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17662433 1.00 KDM4E (0.35) KDM4EALDH1A1ITGB3ITGA2BNPSR1
SCHEMBL16248631 1.00 KDM4E (0.35) KDM4EALDH1A1ITGB3ITGA2BNPSR1
SCHEMBL11956480 0.95 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL16248528 0.95 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL16248523 0.95 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL24239548 0.89 OPRK1 (0.33) KDM4EALDH1A1ITGB3ITGA2B
SCHEMBL19062769 0.89 OPRK1 (0.33) KDM4EALDH1A1ITGB3ITGA2B
SCHEMBL22800098 0.87 KDM4E (0.35) KDM4EALDH1A1ITGB3ITGA2BNPSR1
SCHEMBL22799569 0.87 KDM4E (0.35) KDM4EALDH1A1ITGB3ITGA2BNPSR1
SCHEMBL11956481 0.87 CYP2D6 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 — — US disclosed
WO-2023057813-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
WO-2023057812-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
US-8709998-B2 Peptide vectors IPSEN PHARMA S.A.S. (FR) 2014-04-29 — — US disclosed
US-8709998-B2 Peptide vectors IPSEN PHARMA S.A.S. (FR) 2014-04-29 — — US disclosed
US-8236762-B2 Peptide-cytotoxic conjugates IPSEN PHARMA S.A.S. (FR) 2012-08-07 — — US disclosed
US-20100113367-A1 PEPTIDE-CYTOTOXIC CONJUGATES IPSEN PHARMA S.A.S. (FR) 2010-05-06 — — US disclosed
US-20070093645-A1 Peptide vectors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION (FR) 2007-04-26 — — 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 (3 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 KDM4E 685/4885ALDH1A1 1047/4885ITGB3 528/4885
US-20100113367-A1 PEPTIDE-CYTOTOXIC CONJUGATES TP53, VIP, MCL1 KDM4E 4485/4885ALDH1A1 3716/4885ITGB3 1125/4885
US-20070093645-A1 Peptide vectors TP53, VIP, XIAP KDM4E 4575/4885ALDH1A1 4534/4885ITGB3 1873/4885

“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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