SCHEMBL4686388

SCHEMBL4686388

N=C(N)NCc1cccc(C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.46
HTR2C P28335 1/20 0.45
LMNA P02545 1/20 0.43
F2 P00734 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MLYCD O95822 1/20 0.41
MAPK14 Q16539 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL20302830 0.81 LOXL2 (0.63) F10LOXL2MRGPRX4MAPTALDH1A1
Trifluoroacetic Acid SCHEMBL4686379 0.81 NR1H4 (0.52) F10F2TMPRSS6NR1H4
SCHEMBL4684114 0.78 FURIN (0.41) F10HTR2CLMNAMAPTALDH1A1
SCHEMBL30940553 0.78 F10 (0.60) F10F2LOXL2
SCHEMBL20487535 0.77 NR1H4 (0.56) F10MRGPRX4NR1H4
Hydrochloric Acid SCHEMBL7327435 0.76 NR1H4 (0.55) F10MRGPRX4NR1H4
Trifluoroacetic Acid SCHEMBL17894472 0.74 F10 (0.51) F10F2MLYCDTMPRSS6
Hydrochloric Acid SCHEMBL9715397 0.72 F10 (0.42) F10F2LOXL2
Trifluoroacetic Acid SCHEMBL17894369 0.72 ITGB3 (0.55) F10F2HPGDNR1H4
Trifluoroacetic Acid SCHEMBL5172108 0.72 HDAC3 (0.52) F2TMPRSS6MAPTALDH1A1

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-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 F10 26/4885HTR2C 4184/4885LMNA 3957/4885

“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.