SCHEMBL2360503

SCHEMBL2360503

O=[C]/C=C/c1ccc(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NFE2L2 Q16236 3/20 0.35
CHAT P28329 1/20 0.35
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
VCP P55072 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KAT2B Q92831 2/20 0.33

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
SCHEMBL2360504 1.00 TRPA1 (0.38) TRPA1KMT2APOLBPKMMAPK1
SCHEMBL97362 0.88 POLB (0.37) TRPA1KMT2APOLBPKMMAPK1
SCHEMBL97363 0.88 POLB (0.37) TRPA1KMT2APOLBPKMMAPK1
SCHEMBL14990171 0.85 KCNA3 (0.39) ALDH1A1NFE2L2CHATVCPMAOB
SCHEMBL14990170 0.85 KCNA3 (0.39) ALDH1A1NFE2L2CHATVCPMAOB
SCHEMBL11045499 0.82 NFE2L2 (0.52) TRPA1NFE2L2VCP
SCHEMBL4498689 0.82 ALDH1A1 (0.54) KMT2AALDH1A1CHATNPSR1PYGL
SCHEMBL11045502 0.82 NFE2L2 (0.52) TRPA1NFE2L2VCP
SCHEMBL5163388 0.82 ALDH1A1 (0.54) KMT2AALDH1A1CHATNPSR1PYGL
SCHEMBL4847293 0.78 ALDH1A1 (0.46) TRPA1KMT2APOLBPKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239139-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE NINGBO COMBIREG PHARMACEUTICAL TECH CO LTD (CN) 2020-10-28 EP disclosed
EP-3239139-A1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE Shenzhen Salubris Pharmaceuticals Co., Ltd (CN) 2017-11-01 EP disclosed
EP-2612857-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE SHENZHEN SALUBRIS PHARM CO LTD (CN) 2017-07-26 EP disclosed
US-9085605-B2 Chemical synthesis and anti-tumor and anti-metastatic effects of dual functional conjugate SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2015-07-21 US disclosed
EP-2612857-A1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2013-07-10 EP disclosed
US-20130143826-A1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2013-06-06 US disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 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 (1 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-20130143826-A1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE PTMS, DNPEP, PAICS TRPA1 4413/4885KMT2A 3430/4885POLB 261/4885

“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.