SCHEMBL4660244

SCHEMBL4660244

NCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.66
GSK3B P49841 2/20 0.66
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
MMP1 P03956 1/20 0.56
SRD5A2 P31213 2/20 0.52
HSD11B1 P28845 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PTGS1 P23219 2/20 0.47

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
Hydrochloric Acid SCHEMBL5421482 0.98 PTPN1 (0.63) PTPN1GSK3BCES2CES1MMP1
SCHEMBL30357692 0.87 PTPN1 (0.51) PTPN1GSK3BCES2CES1MMP1
SCHEMBL8085399 0.85 GSK3B (0.54) PTPN1GSK3BCES2CES1MMP1
SCHEMBL26135918 0.83 MMP1 (0.76) PTPN1GSK3BCES2CES1MMP1
SCHEMBL29987081 0.83 PTPN1 (0.75) PTPN1GSK3BCES2CES1MMP1
SCHEMBL1360049 0.81 PTPN1 (0.68) PTPN1GSK3BCES2CES1MMP1
SCHEMBL2074662 0.81 PTPN1 (0.68) PTPN1GSK3BCES2CES1MMP1
SCHEMBL3569892 0.80 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
Hydrochloric Acid SCHEMBL13738814 0.79 GSK3B (0.42) PTPN1GSK3BCES1HDAC1HDAC8
SCHEMBL3102483 0.79 GSK3B (0.66) PTPN1GSK3BCES2CES1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 CN disclosed
CN-116157394-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-05-23 CN disclosed
EP-4021441-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF Trustees of Dartmouth College (US) 2022-07-06 EP disclosed
WO-2021042046-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-03-04 WO disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 EP disclosed
US-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety INDIVIOR UK LIMITED (GB) 2020-03-03 US disclosed
WO-2017064488-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LIMITED (GB) 2017-04-20 WO disclosed
EP-2004595-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES Schering-Plough Ltd. (CH) 2008-12-24 EP disclosed
WO-2007116314-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (US) 2007-10-18 WO disclosed
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP disclosed
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed
US-5214059-A Dermatitis, psoriasis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-25 US disclosed
US-5166170-A 2-(AMINOARYL) INDOLES AND INDOLINES AS TOPICAL ANTIINFLAMMATORY AGENTS FOR THE TREATMENT OF SKIN DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-24 US disclosed
EP-0406734-A2 2-(Aminoaryl)indoles and indolines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-09 EP disclosed
US-4968702-A ANTIARTHRITIC, INHIBITORS OF PROGRESSIVE JOINT DETERIORATION, IMMUNOSUPPRESSANT AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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 (2 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-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety DRD3, DRD2, SLC6A3 PTPN1 1167/4885GSK3B 1218/4885CES2 736/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PTPN1 1425/4885GSK3B 487/4885CES2 3567/4885

“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.