SCHEMBL4408237

SCHEMBL4408237

O=S(=O)(CC(F)(F)F)NC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
EPHX1 P07099 3/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL28915147 0.81 CA12 (0.50) JAK2JAK1TYK2DRD2HTR2A
SCHEMBL15421808 0.80 APLNR (0.36) JAK2JAK1TYK2DRD2HTR2A
SCHEMBL13116783 0.79 EPHX1 (0.39) WNT3SFRP1EPHX1POLBLMNA
SCHEMBL695332 0.76 KCNH2 (0.42) JAK1EPHX1POLBLMNACYP3A4
SCHEMBL19599021 0.75 DRD2 (0.40) JAK2JAK1TYK2DRD2HTR2A
SCHEMBL19580701 0.75 DRD2 (0.40) JAK2JAK1TYK2DRD2HTR2A
SCHEMBL15202850 0.75 WNT3 (0.39) WNT3SFRP1EPHX1POLBLMNA
SCHEMBL4283480 0.75 EPHX1 (0.39) WNT3SFRP1EPHX1POLBLMNA
SCHEMBL22787415 0.74 HTR2A (0.42) JAK2JAK1TYK2DRD2HTR2A
Hydrochloric Acid SCHEMBL13386190 0.73 WNT3 (0.38) WNT3SFRP1EPHX1POLBLMNA

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 3 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
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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 WNT3 2877/4885SFRP1 3164/4885JAK2 377/4885

“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.