SCHEMBL1342005

SCHEMBL1342005

COc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
TP53 P04637 2/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
TGM2 P21980 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 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
SCHEMBL3978246 0.95 CYP17A1 (0.58) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL7079625 0.91 RAB9A (0.73) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL13055402 0.89 CYP17A1 (0.59) SMN1; SMN2ALDH1A1GAAL3MBTL1CYP17A1
SCHEMBL30403272 0.88 KMT2A (0.56) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL29131710 0.87 HPGD (0.59) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL23619661 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL12085977 0.86 CYP17A1 (0.51) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL4672586 0.85 NPC1 (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL20865536 0.83 CYP17A1 (0.68) SMN1; SMN2HTTL3MBTL1CYP17A1
SCHEMBL13783466 0.83 NPC1 (0.51) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864127-A A kind of oxygen bridge double-heptene sulfamide compound and the preparation method and application thereof containing different alkyl chain lengths 武汉大学 2018-11-23 CN claimed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
CN-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
CN-1167681-C Condensed indoline derivatives and their use as 5HT, in particular 5HT2C receptor ligands О 2004-09-22 CN disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
CN-1379761-A Fused indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESAERCH LTD (GB) 2002-11-13 CN disclosed
US-6100398-A Transition metal-catalyzed process for preparing N-aryl amine compounds YALE UNIVERSITY (US) 2000-08-08 US disclosed
US-5849750-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-15 US disclosed
US-5763451-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-09 US disclosed
WO-1996003124-A9 DYNEMICIN ANALOGS 1996-03-14 WO disclosed
WO-1996003124-A1 DYNEMICIN ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1996-02-08 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 (3 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-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 SMN1; SMN2 2445/4885NPC1 4298/4885RAB9A 1971/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 SMN1; SMN2 2445/4885NPC1 4298/4885RAB9A 1971/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 SMN1; SMN2 2958/4885NPC1 2201/4885RAB9A 3353/4885

“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.