SCHEMBL16216397

SCHEMBL16216397

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
MT-CO2 P00403 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDH1 O75874 3/20 0.33
APLNR P35414 2/20 0.33
CES2 O00748 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
SCHEMBL16207402 1.00 AAK1 (0.37) AAK1MT-CO2PTGS1PTGS2MEN1
SCHEMBL30193017 0.83 NOTUM (0.41) AAK1MT-CO2PTGS1PTGS2MEN1
SCHEMBL24875667 0.83 NOTUM (0.41) AAK1MT-CO2PTGS1PTGS2MEN1
SCHEMBL16216371 0.83 MT-CO2 (0.40) MT-CO2PTGS1PTGS2MEN1KMT2A
SCHEMBL16207548 0.83 MT-CO2 (0.40) MT-CO2PTGS1PTGS2MEN1KMT2A
SCHEMBL28754394 0.81 PTGS1 (0.42) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL16216461 0.81 MAOB (0.37) MT-CO2PTGS1PTGS2MEN1KMT2A
SCHEMBL16207546 0.81 MAOB (0.37) MT-CO2PTGS1PTGS2MEN1KMT2A
SCHEMBL16216459 0.80 MT-CO2 (0.35) MT-CO2PTGS1PTGS2MEN1KMT2A
SCHEMBL16207626 0.80 MT-CO2 (0.35) MT-CO2PTGS1PTGS2MEN1KMT2A

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
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 AAK1 2197/4885MT-CO2 1253/4885PTGS1 32/4885

“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.