SCHEMBL13433904

SCHEMBL13433904

CC(=O)Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MITF O75030 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PDK1 Q15118 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TXNRD1 Q16881 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL31191337 0.88 CYP1A2 (0.58) CYP1A2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31191330 0.87 PDGFRB (0.53) CYP1A2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14099278 0.83 ALDH1A1 (0.55) CYP1A2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28550353 0.80 SMN1; SMN2 (0.39) CYP1A2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2977227 0.79 HPD (0.52) CYP1A2SMN1; SMN2MEN1KMT2ATHRB
SCHEMBL25987854 0.77 RAB9A (0.41) CYP1A2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13433933 0.77 KCNH2 (0.38) SMN1; SMN2MEN1KMT2AMITFTHRB
SCHEMBL30410464 0.77 CYP1A2 (0.50) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2994232 0.77 CYP1A2 (0.50) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3483129 0.76 KMT2A (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819983-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLPROPANONES SYNGENTA PARTICIPATIONS AG (CH) 2017-10-04 EP disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 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 (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-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds FFAR2, PPARG, PPARA CYP1A2 626/4885SMN1; SMN2 4850/4885NPC1 1994/4885

“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.