SCHEMBL3128398

SCHEMBL3128398

CC(C)Cc1ccc(/C(Cl)=N/O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 3/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL3128405 1.00 FAAH (0.42) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL13268623 0.78 PPARG (0.48) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL19409858 0.78 FAAH (0.46) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL10178590 0.78 ALDH1A1 (0.48) LMNACYP2C9TSHRALDH1A1HPGD
SCHEMBL8167757 0.78 ALDH1A1 (0.48) LMNACYP2C9TSHRALDH1A1HPGD
SCHEMBL2323285 0.77 EPHX1 (0.49) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL2323281 0.77 EPHX1 (0.49) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL1966513 0.76 CXCR1 (0.53) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL11198091 0.76 FAAH (0.44) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL11814265 0.76 ALDH1A1 (0.33) LMNATSHRMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-05-15 US disclosed
EP-1873153-A1 HETEROCYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-02 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 (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-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds TPMT, AZI2, IDO1 FAAH 2144/4885PTGS1 253/4885PTGS2 640/4885

“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.