SCHEMBL16216461

SCHEMBL16216461

COC(=O)C(C)c1cc(F)c(CBr)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.37
DPP4 P27487 2/20 0.35
MT-CO2 P00403 1/20 0.34
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL16207546 1.00 MAOB (0.37) MAOBDPP4MT-CO2PTGS2PTGS1
SCHEMBL16216397 0.81 AAK1 (0.37) MT-CO2PTGS2PTGS1MEN1KMT2A
SCHEMBL16207402 0.81 AAK1 (0.37) MT-CO2PTGS2PTGS1MEN1KMT2A
SCHEMBL16216371 0.80 MT-CO2 (0.40) MAOBMT-CO2PTGS2PTGS1MEN1
SCHEMBL16207548 0.80 MT-CO2 (0.40) MAOBMT-CO2PTGS2PTGS1MEN1
SCHEMBL16219341 0.79 PTGS1 (0.44) PTGS2PTGS1MEN1KMT2ATSHR
SCHEMBL16207491 0.79 PTGS1 (0.44) PTGS2PTGS1MEN1KMT2ATSHR
SCHEMBL16207626 0.78 MT-CO2 (0.35) MAOBMT-CO2PTGS2PTGS1MEN1
SCHEMBL16216459 0.78 MT-CO2 (0.35) MAOBMT-CO2PTGS2PTGS1MEN1
SCHEMBL16216369 0.76 MAOB (0.35) MAOBDPP4MT-CO2PTGS2PTGS1

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-2799424-B1 2-FLUOROPHENYLPROPIONIC ACID DERIVATIVE LTT BIO PHARMA CO LTD (JP) 2016-08-17 EP disclosed
US-9221786-B2 2-fluorophenyl propionic acid derivatives LTT BIO-PHARMA CO., LTD. (JP) 2015-12-29 US disclosed
US-9221786-B2 2-fluorophenyl propionic acid derivatives LTT BIO-PHARMA CO., LTD. (JP) 2015-12-29 US disclosed
US-20140330026-A1 2-FLUOROPHENYL PROPIONIC ACID DERIVATIVES LTT BIO-PHARMA CO., LTD. (JP) 2014-11-06 US disclosed
US-20140330026-A1 2-FLUOROPHENYL PROPIONIC ACID DERIVATIVES LTT BIO-PHARMA CO., LTD. (JP) 2014-11-06 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-20140330026-A1 2-FLUOROPHENYL PROPIONIC ACID DERIVATIVES FPR1, OPRK1, FPR2 MAOB 1824/4885DPP4 613/4885MT-CO2 1253/4885

“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.