SCHEMBL5495002

SCHEMBL5495002

CNC(=O)Cc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.66
ALDH1A1 P00352 3/20 0.66
POLB P06746 7/20 0.61
RAB9A P51151 2/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
PKM P14618 2/20 0.58
BLM P54132 2/20 0.58
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GAPDH P04406 1/20 0.55
MAPT P10636 1/20 0.55
APEX1 P27695 1/20 0.55
PTPN7 P35236 1/20 0.55
RECQL P46063 1/20 0.55
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55

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
SCHEMBL171960 0.83 ALDH1A1 (0.56) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL10344961 0.82 HPGD (0.68) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL8319802 0.81 HPGD (0.72) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL2561707 0.81 POLB (0.54) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL8316469 0.81 HPGD (0.66) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL965878 0.81 HPGD (0.66) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL11585107 0.81 HPGD (0.66) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL12264637 0.81 HPGD (0.66) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL9185531 0.81 HPGD (0.66) HPGDALDH1A1POLBRAB9AMEN1
SCHEMBL10345060 0.80 HPGD (0.60) HPGDALDH1A1POLBRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795491-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same THE GENERAL HOSPITAL CORPORATION (US) 2023-10-24 US disclosed
WO-2021105512-A1 FLUOROGENIC BETA-LACTAMASE SUBSTRATE AND ASSOCIATED DETECTION METHOD MOLSID (FR) 2021-06-03 WO disclosed
US-10874107-B2 β-lactamase targeted photosensitizer for pesticide and pest detection THE GENERAL HOSPITAL CORPORATION (US) 2020-12-29 US disclosed
US-20200154710-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-05-21 US disclosed
US-10172874-B2 Pharmaceutical compositions comprising cyclic boronic acid ester derivatives REMPEX PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20180207183-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2018-07-26 US disclosed
US-20180094292-A1 Photoactivatable Antimicrobial Agents And Therapeutic And Diagnostic Methods Of Using Same THE GENERAL HOSPITAL CORPORATION 2018-04-05 US disclosed
US-9828622-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same THE GENERAL HOSPITAL CORPORATION (US) 2017-11-28 US disclosed
US-9828622-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same THE GENERAL HOSPITAL CORPORATION (US) 2017-11-28 US disclosed
US-9493444-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed
EP-0191163-B1 PROCESS FOR THE PRODUCTION OF THIOLHYDROXAMATES MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1990-05-23 EP disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 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 (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-20180207183-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, SLC10A2, ABCB11 HPGD 1334/4885ALDH1A1 3286/4885POLB 1208/4885
US-10874107-B2 β-lactamase targeted photosensitizer for pesticide and pest detection DDT, BCHE, GUSB HPGD 858/4885ALDH1A1 500/4885POLB 1455/4885
US-20180094292-A1 Photoactivatable Antimicrobial Agents And Therapeutic And Diagnostic Methods Of Using Same HMBS, GUSB, LCT HPGD 477/4885ALDH1A1 139/4885POLB 129/4885
US-11795491-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same HMBS, GUSB, LCT HPGD 477/4885ALDH1A1 139/4885POLB 129/4885
US-10172874-B2 Pharmaceutical compositions comprising cyclic boronic acid ester derivatives BCL6B, SLC10A2, ABCB11 HPGD 1334/4885ALDH1A1 3286/4885POLB 1208/4885
US-20200154710-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION DDT, BCHE, GUSB HPGD 782/4885ALDH1A1 479/4885POLB 1217/4885

“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.