SCHEMBL806841

SCHEMBL806841

COC(=O)[C@H](CCCO)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.60
SIRT1 Q96EB6 2/20 0.60
SIRT3 Q9NTG7 1/20 0.60
KYNU Q16719 1/20 0.59
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
CTSL P07711 3/20 0.57
CTSS P25774 3/20 0.57
CTSK P43235 4/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CTSB P07858 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
TACR1 P25103 1/20 0.50

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
SCHEMBL1110959 1.00 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1110961 1.00 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL8386880 0.93 SIRT2 (0.67) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1068619 0.92 KYNU (0.62) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1068617 0.92 KYNU (0.62) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL18405554 0.92 CTSL (0.56) SIRT2SIRT1SIRT3ALDH1A1ALOX15
SCHEMBL1111097 0.92 KYNU (0.62) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL30476793 0.89 CTSL (0.51) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL28324112 0.89 CTSL (0.51) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL15665359 0.89 CTSL (0.70) SIRT2SIRT1SIRT3KYNUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-10-13 US disclosed
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-10-13 US disclosed
US-9187524-B2 Broad spectrum antibiotic arylomycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-11-17 US disclosed
US-9187524-B2 Broad spectrum antibiotic arylomycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-11-17 US disclosed
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-12 US disclosed
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-12 US disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 WO disclosed
US-20030055214-A1 Guanidinylation reagents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-03-20 US disclosed
EP-0983232-B1 GUANIDINYLATION REAGENTS UNIV CALIFORNIA (US) 2002-11-13 EP disclosed
US-6380358-B1 USING IN SOLID PHASE SYNTHESIS; FOR EXAMPLE, N-N'-DI-BOC-N?-TRIFLUOROMETHMESULFONYL-GUANIDINE TO YIELD N-PROTECTED GUANIDINE DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-30 US disclosed
US-6072075-A Guanidinylation reagents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-06 US disclosed
EP-0983232-A2 GUANIDINYLATION REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-08 EP disclosed
WO-1998052917-A2 GUANIDINYLATION REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-26 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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SIRT2 3547/4885SIRT1 1447/4885SIRT3 3029/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 SIRT2 2912/4885SIRT1 2511/4885SIRT3 3858/4885
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L SIRT2 4029/4885SIRT1 4439/4885SIRT3 4645/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SIRT2 3547/4885SIRT1 1447/4885SIRT3 3029/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L SIRT2 4029/4885SIRT1 4439/4885SIRT3 4645/4885
US-20030055214-A1 Guanidinylation reagents GDA, GMPS, GNMT SIRT2 1813/4885SIRT1 2764/4885SIRT3 2172/4885

“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.