SCHEMBL3318757

SCHEMBL3318757

O=C(CCl)NCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
CA9 Q16790 1/20 0.53
CYP2D6 P10635 1/20 0.52
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 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
SCHEMBL15137338 0.89
SCHEMBL3589965 0.86 HDAC3 (0.51) EPHX1CA12CA1CA2MMP1
SCHEMBL17787740 0.81 EPHX1 (0.59) EPHX1CA12CA1CA2MMP1
SCHEMBL22197123 0.81 EPHX1 (0.59) EPHX1CA12CA1CA2MMP1
SCHEMBL2937238 0.81 EPHX1 (0.59) EPHX1CA12CA1CA2MMP1
SCHEMBL15185790 0.80 NAMPT (0.44) EPHX1CYP2D6RAB9ASMN1; SMN2NPC1
SCHEMBL8886 0.79 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1
SCHEMBL14241831 0.79 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1
SCHEMBL8392787 0.79 EPHX1 (0.57) EPHX1CA12CA1CA2MMP1
SCHEMBL10702291 0.79 CYP2D6 (0.61) EPHX1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143691-A Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2024-12-17 CN claimed
CN-119143691-B Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2025-06-24 CN disclosed
CN-113164495-B Covalent targeting of E3 ligases 加利福尼亚大学董事会 2025-04-22 CN disclosed
US-20250120982-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-04-17 US disclosed
CN-119143691-A Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2024-12-17 CN disclosed
US-12161648-B2 Covalent targeting of E3 ligases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 US disclosed
US-20220169790-A1 CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS UNIV BASEL (CH) 2022-06-02 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
EP-3863642-A1 COVALENT TARGETING OF E3 LIGASES The Regents of the University of California (US) 2021-08-18 EP disclosed
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 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-12161648-B2 Covalent targeting of E3 ligases RNF114, RNF4, RNF168 EPHX1 3765/4885CA12 4279/4885CA1 4615/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 EPHX1 3765/4885CA12 4279/4885CA1 4615/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A EPHX1 1468/4885CA12 3097/4885CA1 3085/4885
US-20250120982-A1 COVALENT TARGETING OF E3 LIGASES STUB1, XIAP, RBX1 EPHX1 2049/4885CA12 4207/4885CA1 4261/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A EPHX1 1440/4885CA12 2843/4885CA1 3179/4885
US-20220169790-A1 CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS SIGLEC7, GALC, GBA1 EPHX1 1175/4885CA12 42/4885CA1 139/4885

“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.