SCHEMBL4084927

SCHEMBL4084927

COC(=O)Cc1ccc(CN2C(=O)CCCN2CCC(=O)Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
OPRL1 P41146 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KCNN4 O15554 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNQ2 O43526 1/20 0.38
LMNA P02545 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
SCHEMBL4077453 0.96 KMT2A (0.42) PTGER4PTGER2KMT2AMEN1SIGMAR1
SCHEMBL4087627 0.88 PTGER4 (0.40) PTGER4PTGER2KMT2AMEN1OPRL1
SCHEMBL4080468 0.86 PTGER4 (0.60) PTGER4PTGER2KMT2AMEN1MAPT
SCHEMBL4087358 0.83 PTGER4 (0.55) PTGER4PTGER2KMT2AMEN1KCNN4
SCHEMBL28771821 0.82 KMT2A (0.48) PTGER4PTGER2KMT2AMEN1SIGMAR1
SCHEMBL4080279 0.82 ALDH1A1 (0.40) PTGER4PTGER2KMT2AMEN1HTT
SCHEMBL4087547 0.82 PTGER4 (0.58) PTGER4PTGER2KMT2AMEN1OPRL1
SCHEMBL4087365 0.82 PTGER4 (0.49) PTGER4PTGER2KMT2AMEN1KCNN4
SCHEMBL27717957 0.82 KMT2A (0.47) PTGER4PTGER2KMT2AMEN1SIGMAR1
SCHEMBL15163216 0.81 PTGER4 (0.43) PTGER4PTGER2KMT2AMEN1SIGMAR1

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-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER4 33/4885PTGER2 39/4885KMT2A 4051/4885

“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.