SCHEMBL5624977

SCHEMBL5624977

O=C(NCC(F)(F)C(=O)O)c1ccc(Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
DAO P14920 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC4 P56524 3/20 0.47
HDAC3 O15379 2/20 0.46
F10 P00742 4/20 0.45
GSK3B P49841 1/20 0.44
F2 P00734 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5626908 0.81 HPGD (0.48) MAPK1HPGDTSHRHDAC1HDAC6
SCHEMBL25308248 0.76 DAO (0.50) MAPK1HPGDDAOGSK3BKDM4E
SCHEMBL1106560 0.76 KMT2A (0.65) MAPK1HPGDTSHRDAOF10
SCHEMBL14627824 0.74 MAPK1 (0.64) MAPK1HPGDTSHRDAOHDAC1
Trifluoroacetic Acid SCHEMBL1770197 0.73 MAPK1 (0.46) MAPK1HPGDTSHRHDAC1HDAC6
SCHEMBL5630030 0.73 MAPK1 (0.63) MAPK1HPGDTSHRDAOF10
SCHEMBL20477567 0.72 HDAC1 (0.56) MAPK1HPGDTSHRHDAC1HDAC6
SCHEMBL1106565 0.72 MAPK1 (0.57) MAPK1HPGDTSHRDAOHDAC1
Trifluoroacetic Acid SCHEMBL5656425 0.72 F2 (0.77) MAPK1HPGDDAOHDAC6F10
SCHEMBL5429273 0.71 F2 (0.58) MAPK1HPGDTSHRDAOF10

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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 WO disclosed
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 MAPK1 2587/4885HPGD 2249/4885TSHR 520/4885

“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.