SCHEMBL17823176

SCHEMBL17823176

C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ XIAP P98170 1/20 0.34
▸ BIRC2 Q13490 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ PTGER1 P34995 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL17823177 1.00 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL23071942 0.91 NR3C1 (0.41) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL17823173 0.91 PTGS1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL17823174 0.91 PTGS1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL23953371 0.88 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL19026314 0.88 CA12 (0.36) HSD17B10NPC1RAB9ASMN1; SMN2NR3C1
SCHEMBL19026338 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL18911030 0.86 NPC1 (0.39) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL17722900 0.86 NPC1 (0.39) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL23286124 0.85 NR3C1 (0.38) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637748-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-29 — — EP disclosed
EP-4633681-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-22 — — EP disclosed
US-20240358847-A1 TROP2 BINDERS AND CONJUGATES THEREOF MERCK SHARP & DOHME LLC (US) 2024-10-31 — — US disclosed
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — US disclosed
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — WO disclosed
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — US disclosed
WO-2024129628-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-20 — — WO disclosed
US-20240199745-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2024-06-20 — — US disclosed
EP-3888689-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2021-10-06 — — EP disclosed
EP-3735990-A1 ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS Abbvie Inc. (US) 2020-11-11 — — EP disclosed
US-20200246323-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors ABBVIE INC. (US) 2020-08-06 — — US disclosed
EP-3229844-B1 ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS ABBVIE INC (US) 2020-03-04 — — EP disclosed
US-20190153107-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2019-05-23 — — US disclosed
EP-3468615-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 — — EP disclosed
EP-3468993-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 — — EP disclosed
EP-3468598-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 — — EP disclosed
WO-2017214456-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 — — WO disclosed
EP-3229844-A1 ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS AbbVie Inc. (US) 2017-10-18 — — EP disclosed
US-20170182179-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors ABBVIE INC. (US) 2017-06-29 — — US disclosed
WO-2016094505-A1 ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS ABBVIE INC. (US) 2016-06-16 — — 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 (6 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-20240199745-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 KDM4E 1013/4885ALDH1A1 1891/4885HPGD 3809/4885
US-20170182179-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors BCL2, BCL2L10, BAX KDM4E 2021/4885ALDH1A1 2251/4885HPGD 3485/4885
US-20240358847-A1 TROP2 BINDERS AND CONJUGATES THEREOF TPM3, TPM4, CD2BP2 KDM4E 3141/4885ALDH1A1 1586/4885HPGD 4529/4885
US-20190153107-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 KDM4E 1013/4885ALDH1A1 1891/4885HPGD 3809/4885
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF AURKA, AURKC, AURKB KDM4E 1176/4885ALDH1A1 990/4885HPGD 3416/4885
US-20200246323-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors BCL2, BCL2L10, BAX KDM4E 2021/4885ALDH1A1 2251/4885HPGD 3485/4885

“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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