SCHEMBL5250778

SCHEMBL5250778

O=S(=O)(NC(F)(F)F)c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR6 P50406 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL5280386 0.82 KMT2A (0.69) KMT2AMEN1KDM4ENPC1LMNA
SCHEMBL1069771 0.77 PTGES2 (0.50) KMT2AMEN1KDM4ENPC1LMNA
SCHEMBL302571 0.77 GAA (0.55) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL21223052 0.76 ALDH1A1 (0.48) KMT2AMEN1LMNASMN1; SMN2CA2
Hydrochloric Acid SCHEMBL2640192 0.75 GAA (0.54) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL19122490 0.72 CA2 (0.39) LMNASMN1; SMN2CA2CA1HTR6
SCHEMBL30084552 0.72 LMNA (0.54) KMT2AMEN1KDM4ENPC1LMNA
SCHEMBL3677379 0.72 LMNA (0.54) KMT2AMEN1KDM4ENPC1LMNA
SCHEMBL22619104 0.71 PNMT (0.40) LMNAHPGDSMN1; SMN2CA2CA1
SCHEMBL12054698 0.71 L3MBTL1 (0.61) KMT2AMEN1LMNASMN1; SMN2GAA

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-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP disclosed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 US disclosed
EP-1562925-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-08-17 EP disclosed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 WO 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-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 KMT2A 1609/4885MEN1 3642/4885KDM4E 406/4885

“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.