SCHEMBL6421056

SCHEMBL6421056

O=C(O)c1ccc(C2OCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SRD5A2 P31213 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HNF4A P41235 2/20 0.41
CA1 P00915 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 1/20 0.40
DRD1 P21728 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL4088776 0.92 TSHR (0.50) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL3765025 0.82 SMN1; SMN2 (0.45) CES2CES1SMN1; SMN2NPC1RAB9A
SCHEMBL9451018 0.81 MEN1 (0.41) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8185981 0.81 TSHR (0.46) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL8178904 0.79 MEN1 (0.60) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL6420071 0.79 NPC1 (0.68) TSHRSMN1; SMN2NPC1RAB9AKMT2A
Terephthalic Acid SCHEMBL3895453 0.79 TSHR (0.67) TSHRTP53CES2CES1SMN1; SMN2
Terephthalic Acid SCHEMBL4091430 0.79 TSHR (0.67) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL28341270 0.79 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2AHPGDPOLB
SCHEMBL14966664 0.78 PRKAG1 (0.47) TSHRTP53MEN1KMT2AHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119233977-A Prodrugs of boron compounds and their use in the treatment of bacterial infections 上海盟科药业股份有限公司 2024-12-31 CN claimed
CN-119233823-A Method and use of boron compounds for treating nontuberculous mycobacterial infections and pharmaceutical compositions for treating the same 上海盟科药业股份有限公司 2024-12-31 CN claimed
US-20240279247-A1 PRODRUGS OF BORON COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2024-08-22 US claimed
US-20240269155-A1 METHODS AND USES OF BORON COMPOUNDS IN THE TREATMENT OF NONTUBERCULOUS MYCOBACTERIUM INFECTIONS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF SAME MICURX PHARMACEUTICALS, INC. 2024-08-15 US claimed
EP-4384527-A1 PRODRUGS OF BORON COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2024-06-19 EP claimed
EP-4384185-A1 METHODS AND USES OF BORON COMPOUNDS IN THE TREATMENT OF NONTUBERCULOUS MYCOBACTERIUM INFECTIONS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF SAME Micurx Pharmaceuticals, Inc. (US) 2024-06-19 EP claimed
WO-2023246841-A1 METHODS AND USES OF BORON COMPOUNDS IN THE TREATMENT OF NONTUBERCULOUS MYCOBACTERIUM INFECTIONS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF SAME SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-12-28 WO claimed
WO-2023246842-A1 PRODRUGS OF BORON COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-12-28 WO claimed
CN-119233823-B Method and use of boron compounds for treating nontuberculous mycobacterial infections and pharmaceutical compositions for treating the same Shanghai Mengke Pharmaceutical Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-119233977-A Prodrugs of boron compounds and their use in the treatment of bacterial infections 上海盟科药业股份有限公司 2024-12-31 CN disclosed
CN-119233823-A Method and use of boron compounds for treating nontuberculous mycobacterial infections and pharmaceutical compositions for treating the same 上海盟科药业股份有限公司 2024-12-31 CN disclosed
CN-118652243-A Peroxisome proliferator-activated receptor (PPARs) agonist, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-09-17 CN disclosed
US-20240279247-A1 PRODRUGS OF BORON COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2024-08-22 US disclosed
US-20240269155-A1 METHODS AND USES OF BORON COMPOUNDS IN THE TREATMENT OF NONTUBERCULOUS MYCOBACTERIUM INFECTIONS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF SAME MICURX PHARMACEUTICALS, INC. 2024-08-15 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
CN-1466572-A Pyrrole derivatives ס����ҩ��ʽ���� 2004-01-07 CN disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (4 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-20240269155-A1 METHODS AND USES OF BORON COMPOUNDS IN THE TREATMENT OF NONTUBERCULOUS MYCOBACTERIUM INFECTIONS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF SAME TBCB, ABCB7, BPGM TSHR 1708/4885TP53 2005/4885CES2 1311/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 TSHR 2806/4885TP53 3639/4885CES2 3037/4885
US-20240279247-A1 PRODRUGS OF BORON COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS BLVRB, UGT2B7, BPGM TSHR 3100/4885TP53 1862/4885CES2 775/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 TSHR 2862/4885TP53 3761/4885CES2 3054/4885

“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.