SCHEMBL4426192

SCHEMBL4426192

C[C@@H](CN)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
CTSK P43235 7/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CTRB1 P17538 2/20 0.55
ELANE P08246 2/20 0.54
CTSS P25774 6/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 3/20 0.52
PRTN3 P24158 1/20 0.51

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
SCHEMBL856096 1.00 ATM (0.58) ATMCTSKCA12CA1CA2
SCHEMBL2627372 1.00 ATM (0.58) ATMCTSKCA12CA1CA2
Hydrochloric Acid SCHEMBL3557214 0.98 ATM (0.57) ATMCTSKCA12CA1CA2
Hydrochloric Acid SCHEMBL3557210 0.98 ATM (0.57) ATMCTSKCA12CA1CA2
Hydrochloric Acid SCHEMBL3558669 0.98 ATM (0.57) ATMCTSKCA12CA1CA2
SCHEMBL18381502 0.88 ATM (0.59) ATMCTSKCA12CA1CA2
Hydrochloric Acid SCHEMBL5241109 0.87 ATM (0.58) ATMCTSKCA12CA1CA2
SCHEMBL13572927 0.86 ATM (0.59) ATMCTSKCTRB1ELANECTSS
SCHEMBL5268187 0.86 ATM (0.59) ATMCTSKCA12CA1CA2
SCHEMBL6407665 0.86 ATM (0.59) ATMCTSKCTRB1ELANECTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834391-B2 Pantothenamide analogues MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-12-05 US disclosed
US-11834391-B2 Pantothenamide analogues MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-12-05 US disclosed
US-11834391-B2 Pantothenamide analogues MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-12-05 US disclosed
CN-113286778-B Ubiquitin analogs MMV疟疾药物投资公司 2023-09-22 CN disclosed
EP-3906225-B1 PANTOTHENAMIDE ANALOGUES MEDICINES FOR MALARIA VENTURE MMV (CH) 2023-07-05 EP disclosed
EP-3906225-B1 PANTOTHENAMIDE ANALOGUES MEDICINES FOR MALARIA VENTURE MMV (CH) 2023-07-05 EP disclosed
US-20230159437-A1 PANTOTHENAMIDE ANALOGUES MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-05-25 US disclosed
US-20230159437-A1 PANTOTHENAMIDE ANALOGUES MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-05-25 US disclosed
US-20230159437-A1 PANTOTHENAMIDE ANALOGUES MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-05-25 US disclosed
US-11572336-B2 Pantothenamide analogues MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-02-07 US disclosed
WO-2020141155-A1 PANTOTHENAMIDE ANALOGUES MMV MEDICINES FOR MALARIA VENTURE (CH) 2020-07-09 WO disclosed
EP-3674288-A1 PANTOTHENAMIDE ANALOGUES MMV Medicines for Malaria Venture (CH) 2020-07-01 EP disclosed
EP-3674288-A1 PANTOTHENAMIDE ANALOGUES MMV Medicines for Malaria Venture (CH) 2020-07-01 EP disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
CN-101610761-A 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor NOVARTIS AG (CH) 2009-12-23 CN disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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 (5 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L ATM 4785/4885CTSK 2200/4885CA12 2276/4885
US-11572336-B2 Pantothenamide analogues NAMPT, VKORC1, NME4 ATM 4720/4885CTSK 2108/4885CA12 4644/4885
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 ATM 4560/4885CTSK 563/4885CA12 953/4885
US-11834391-B2 Pantothenamide analogues NAMPT, VKORC1, NME4 ATM 4720/4885CTSK 2108/4885CA12 4644/4885
US-20230159437-A1 PANTOTHENAMIDE ANALOGUES NAMPT, VKORC1, NME4 ATM 4720/4885CTSK 2108/4885CA12 4644/4885

“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.