SCHEMBL13731369

SCHEMBL13731369

NC(c1ccccc1)C(N[SH](=O)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.50
▸ F2 P00734 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ CTSD P07339 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ HIF1A Q16665 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
SCHEMBL15336507 0.85 AOC3 (0.40) DPP4F2AOC3CTSDLMNA
SCHEMBL15715609 0.74 HTR2A (0.46) AOC3GBA1
SCHEMBL2866367 0.72 DPP4 (0.56) DPP4F2AOC3LMNAADRA2A
SCHEMBL28763539 0.72 DPP4 (0.56) DPP4F2AOC3LMNAADRA2A
SCHEMBL6742099 0.72 DPP4 (0.56) DPP4F2AOC3LMNAADRA2A
SCHEMBL14455234 0.72 DPP4 (0.56) DPP4F2AOC3LMNAADRA2A
SCHEMBL10013666 0.72 DPP4 (0.50) DPP4F2AOC3CTSDLMNA
SCHEMBL8459121 0.71 DPP4 (0.48) DPP4F2AOC3GBA1
SCHEMBL851654 0.69 DPP4 (1.00) DPP4F2LMNAADRA2AADRA2C
SCHEMBL644767 0.69 DPP4 (1.00) DPP4F2LMNAADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113941365-A Temperature-sensitive catalyst for asymmetric hydrogen transfer reaction of aromatic ketone and preparation method thereof 南开沧州渤海新区绿色化工研究有限公司 2022-01-18 — — CN claimed
EP-3544955-B1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2021-07-14 — — EP claimed
US-10836718-B2 Process for preparing astacene BASF SE (DE) 2020-11-17 — — US claimed
EP-3544955-A1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2019-10-02 — — EP claimed
US-20190292147-A1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2019-09-26 — — US claimed
WO-2018095863-A1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2018-05-31 — — WO claimed
EP-2680697-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST Merck Sharp & Dohme Corp. (US) 2014-01-08 — — EP claimed
WO-2012148553-A1 PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2012-11-01 — — WO claimed
US-11401266-B2 Process for the preparation of an orexin receptor antagonist Merck Sharp & Dohme (UK) Ltd. (GB) 2022-08-02 — — US disclosed
EP-3544955-B1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2021-07-14 — — EP disclosed
US-10836718-B2 Process for preparing astacene BASF SE (DE) 2020-11-17 — — US disclosed
EP-3544955-A1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2019-10-02 — — EP disclosed
US-20190292147-A1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2019-09-26 — — US disclosed
CN-106083837-B The preparation method of Yi Zhong oxazolidinones antibacterials and its intermediate 浙江普洛得邦制药有限公司 2018-08-31 — — CN disclosed
WO-2018095863-A1 IMPROVED PROCESS FOR PREPARING ASTACENE BASF SE (DE) 2018-05-31 — — WO disclosed
CN-104114539-B Process for the stereoselective preparation of pyrazole carboxamides 先正达参股股份有限公司 2016-10-12 — — CN disclosed
CN-103080118-B Ruthenium-diamine complexe and the method for producing optically active compound TAKASAGO INTERNATIONAL CORP. (JP) 2016-05-11 — — CN disclosed
CN-102304007-B Asymmetric catalytic hydrogenation reaction method of intra-annular N-alkylimine CHINESE ACAD INST CHEMISTRY 2014-01-29 — — CN disclosed
CN-1377342-A Process for preparation of tricyclic amino alcohol derivatives ASAHI CHEMICAL IND (JP) 2002-10-30 — — CN 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-11401266-B2 Process for the preparation of an orexin receptor antagonist HCRTR2, HCRTR1, CRHR1 DPP4 1558/4885F2 1667/4885AOC3 410/4885
US-20190292147-A1 IMPROVED PROCESS FOR PREPARING ASTACENE ADH1A, COASY, SQLE DPP4 3611/4885F2 91/4885AOC3 570/4885
US-10836718-B2 Process for preparing astacene SQLE, ADH1A, ADH1C DPP4 3980/4885F2 49/4885AOC3 725/4885

“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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