SCHEMBL2023019

SCHEMBL2023019

CC(=O)S[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTRA1 Q92743 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ UCHL1 P09936 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
SCHEMBL7145405 1.00 HSD17B10 (0.39) HSD17B10ATMNR1H2CYP1A2POLB
SCHEMBL27732779 0.87 HSD17B10 (0.41) HSD17B10NR1H2CYP1A2POLBCYP3A4
SCHEMBL701488 0.86 MMP2 (0.42) HSD17B10NR1H2CYP1A2POLBCYP3A4
SCHEMBL5062575 0.86 MMP2 (0.42) HSD17B10NR1H2CYP1A2POLBCYP3A4
SCHEMBL7141767 0.86 MMP2 (0.42) HSD17B10NR1H2CYP1A2POLBCYP3A4
SCHEMBL5062574 0.86 MMP2 (0.42) HSD17B10NR1H2CYP1A2POLBCYP3A4
SCHEMBL19432138 0.85 HSD17B10 (0.41) HSD17B10ATMNR1H2CYP1A2POLB
SCHEMBL6122248 0.85 HSD17B10 (0.41) HSD17B10ATMNR1H2CYP1A2POLB
SCHEMBL6122243 0.85 HSD17B10 (0.41) HSD17B10ATMNR1H2CYP1A2POLB
SCHEMBL8806575 0.82 NR1H2 (0.38) HSD17B10NR1H2CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791495-B Carbapenem antibiotic and preparation method thereof 青松(天津)制药有限公司 2024-11-26 — — CN disclosed
CN-118791495-A Carbapenem antibiotic and preparation method thereof 青松(天津)制药有限公司 2024-10-18 — — CN disclosed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 — — EP disclosed
US-8318716-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-11-27 — — US disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 — — US disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 — — US disclosed
US-20110160177-A1 NOVEL CARBAPENEM DERIVATIVES XUANZHU (HAINAN) BIOPHARMACEUTICAL CO., LTD. (CN) 2011-06-30 — — US disclosed
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES KBP BIOSCIENCES CO., LTD. (CN) 2010-08-05 — — US disclosed
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES KBP BIOSCIENCES CO., LTD. (CN) 2010-08-05 — — US disclosed
CN-101720326-A Novel carbapenem derivatives KBP BIOSCIENCES CO LTD 2010-06-02 — — CN disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 — — 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 (2 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-20110160177-A1 NOVEL CARBAPENEM DERIVATIVES MGAM, RPIA, MGAM2 HSD17B10 258/4885ATM 2950/4885NR1H2 586/4885
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES SI, MGAM, IDE HSD17B10 174/4885ATM 2496/4885NR1H2 634/4885

“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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