SCHEMBL4177864

SCHEMBL4177864

CN(CCc1cccc(F)c1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
AOC3 Q16853 1/20 0.44
ACKR3 P25106 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL4429227 0.75 RIPK1 (0.48) RIPK1KDM4EALDH1A1TAAR1AOC3
SCHEMBL16333188 0.75 HTR1A (0.54) TAAR1KMT2AHTR2ACDK4CCND1
SCHEMBL8751582 0.74 HCRTR1 (0.54) KDM4EKMT2AATMMTNR1AMTNR1B
SCHEMBL1337385 0.74 FFAR4 (0.47) RIPK1ALDH1A1MEN1KMT2ACES2
SCHEMBL27759121 0.73 SIGMAR1 (0.47) KDM4EALDH1A1AOC3KMT2ACDK4
SCHEMBL18422574 0.73 TAAR1 (0.62) ALDH1A1TAAR1AOC3MEN1KMT2A
SCHEMBL555604 0.73 TAAR1 (0.62) KDM4EALDH1A1TAAR1MEN1KMT2A
SCHEMBL27730951 0.73 TAAR1 (0.44) KDM4EALDH1A1TAAR1KMT2AHTR2A
SCHEMBL16070965 0.73 IAPP (0.56) RIPK1ALDH1A1MEN1KMT2ACES2
SCHEMBL7052559 0.72 TAAR1 (0.48) RIPK1TAAR1AOC3CES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 RIPK1 786/4885KDM4E 1025/4885ALDH1A1 2438/4885

“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.