SCHEMBL12870952

SCHEMBL12870952

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCC(=O)O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.60
▸ NPY4R P50391 3/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ FPR2 P25090 4/20 0.50
▸ CHRM1 P11229 2/20 0.47
▸ AVPR2 P30518 4/20 0.46
▸ TLR7 Q9NYK1 1/20 0.43
▸ APLNR P35414 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
SCHEMBL13103120 0.96 TGM2 (0.61) TGM2NPY4RMEN1USP2POLB
SCHEMBL13114579 0.94 TGM2 (0.58) TGM2NPY4RMEN1USP2POLB
SCHEMBL18732968 0.92 TGM2 (0.61) TGM2NPY4RMEN1USP2POLB
SCHEMBL18087519 0.91 TGM2 (0.62) TGM2NPY4RMEN1USP2POLB
SCHEMBL13135018 0.90 TGM2 (0.54) TGM2NPY4RMEN1USP2POLB
SCHEMBL3504540 0.90 TGM2 (0.60) TGM2NPY4RMEN1USP2POLB
SCHEMBL17126766 0.90 TGM2 (0.60) TGM2NPY4RMEN1USP2POLB
SCHEMBL12119403 0.88 TGM2 (0.61) TGM2NPY4RMEN1USP2POLB
SCHEMBL17399553 0.88 TGM2 (0.65) TGM2NPY4RMEN1USP2POLB
Hydrochloric Acid SCHEMBL13737398 0.88 TGM2 (0.60) TGM2NPY4RMEN1USP2POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF SHENZHEN UNIVERSITY (CN) 2023-05-11 — — US disclosed
WO-2022023496-A2 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2022-02-03 — — WO disclosed
US-20210038605-A1 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF UNIV SHENZHEN (CN) 2021-02-11 — — US disclosed
US-20110028337-A1 NUCLEOBASE CHARACTERISATION NUCLEOBASE CHARACTERISATION 2011-02-03 — — US disclosed
US-7820833-B2 Dithio compounds MARQUETTE UNIVERSITY (US) 2010-10-26 — — US disclosed
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound MARQUETTE UNIVERSITY 2007-03-08 — — 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 (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-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF IFNG, IFNAR1, STING1 TGM2 965/4885NPY4R 3353/4885MEN1 4060/4885
US-20110028337-A1 NUCLEOBASE CHARACTERISATION NT5C3B, NT5C2, NT5E TGM2 3773/4885NPY4R 1614/4885MEN1 3055/4885
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound TST, PFAS, SQOR TGM2 749/4885NPY4R 4085/4885MEN1 4714/4885
US-20210038605-A1 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF IFNG, IFNAR1, STING1 TGM2 965/4885NPY4R 3353/4885MEN1 4060/4885

“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.

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