SCHEMBL4408518

SCHEMBL4408518

O=S(=O)(NC1CCNCC1)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.52
DPP7 Q9UHL4 5/20 0.52
KCNH2 Q12809 4/20 0.52
HDAC8 Q9BY41 1/20 0.52
DPP8 Q6V1X1 3/20 0.49
DPP9 Q86TI2 3/20 0.49
WNT3 P56703 1/20 0.47
SFRP1 Q8N474 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCR8 P51685 1/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4733987 0.83 SFRP1 (0.58) WNT3SFRP1CCR8BRD4BRD2
SCHEMBL18721032 0.79 MAP2K4 (0.52) ALOX5APFEN1KMT2ATDP1ACKR3
SCHEMBL4403614 0.78 KDM4E (0.58) WNT3SFRP1HTTKMT2ATDP1
Hydrochloric Acid SCHEMBL1392622 0.77 KDM4E (0.56) WNT3SFRP1HTTKMT2ATDP1
Hydrochloric Acid SCHEMBL30323025 0.76 CYP11B1 (0.47) KCNH2POLB
Hydrochloric Acid SCHEMBL20524653 0.76 CYP11B1 (0.47) KCNH2POLB
SCHEMBL4507317 0.75 DPP4 (0.46) DPP4DPP7KCNH2HDAC8DPP8
SCHEMBL4507316 0.75 DPP4 (0.46) DPP4DPP7KCNH2HDAC8DPP8
SCHEMBL15698678 0.74 WNT3 (0.43) WNT3SFRP1GAAHTTNPSR1
SCHEMBL14855804 0.74 ALOX5AP (0.53) DPP4DPP7KCNH2HDAC8ALOX5AP

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
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
EP-1945632-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2008-07-23 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed
WO-2007056341-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885KCNH2 966/4885

“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.