SCHEMBL3052852

SCHEMBL3052852

CC(C)(C)OC(=O)CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MAPT P10636 1/20 0.60
TGM2 P21980 1/20 0.58
TPSAB1 Q15661 2/20 0.53
TPSD1 Q9BZJ3 2/20 0.53
TPSG1 Q9NRR2 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KEAP1 Q14145 3/20 0.53
NFE2L2 Q16236 3/20 0.53
PLG P00747 1/20 0.52
ELANE P08246 1/20 0.52
FOLH1 Q04609 2/20 0.50
SYK P43405 1/20 0.50
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.49
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PREP P48147 1/20 0.48

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
SCHEMBL25787604 1.00 HTT (0.61) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL9667908 1.00 HTT (0.61) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL10431132 0.99 HTT (0.63) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL15653279 0.98 HTT (0.59) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL16975020 0.95 HTT (0.68) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL23777326 0.90 TPSAB1 (0.56) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL2417332 0.90 TPSAB1 (0.56) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL6049741 0.90 HTT (0.59) HTTMAPTTGM2TPSAB1TPSD1
SCHEMBL15679441 0.90 MAPT (0.64) HTTMAPTTGM2LMNASMN1; SMN2
SCHEMBL20385193 0.90 MAPT (0.64) HTTMAPTTGM2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914240-B Norbornenone compounds releasing carbon monoxide 奥塔哥创新有限公司 2024-02-20 CN disclosed
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 US disclosed
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 US disclosed
EP-3383846-B1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS OTAGO INNOVATION LTD (NZ) 2022-06-22 EP disclosed
EP-3374348-B1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2021-11-24 EP disclosed
US-20210032286-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-02-04 US disclosed
US-20210024574-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-01-28 US disclosed
WO-2012067670-A1 IRINOTECAN IMMUNOASSAY SALADAX BIOMEDICAL INC. (US) 2012-05-24 WO disclosed
US-20110165699-A1 IRINOTECAN IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2011-07-07 US disclosed
WO-2011071672-A1 IRINOTECAN IMMUNOASSAY SALADAX BIOMEDICAL INC. (US) 2011-06-16 WO disclosed
US-20110136253-A1 Irinotecan Immunoassay SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2011-06-09 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-5888971-A ANTICOAGULANT ORTHO PHARMACEUTICAL CORPORATION, INC. (US) 1999-03-30 US 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 (9 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-20110165699-A1 IRINOTECAN IMMUNOASSAY SI, TOP2A, TYMP HTT 3703/4885MAPT 1138/4885TGM2 485/4885
US-11385225-B2 Tri-functional crosslinking reagents ADGRF1, FCGR3B, FCGR2A HTT 2396/4885MAPT 4677/4885TGM2 1162/4885
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 HTT 671/4885MAPT 4638/4885TGM2 926/4885
US-20220373541-A1 Tri-functional Crosslinking Reagents ADGRF1, SIGLEC7, ADGRE5 HTT 2294/4885MAPT 4491/4885TGM2 1682/4885
US-20210032286-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 HTT 4490/4885MAPT 1246/4885TGM2 82/4885
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CPSF6, NFATC1, CPSF1 HTT 4139/4885MAPT 2761/4885TGM2 3718/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR HTT 1033/4885MAPT 4377/4885TGM2 2089/4885
US-20210024574-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 HTT 4490/4885MAPT 1246/4885TGM2 82/4885
US-20110136253-A1 Irinotecan Immunoassay SI, TOP2A, TYMP HTT 3703/4885MAPT 1138/4885TGM2 485/4885

“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.