SCHEMBL4957910

SCHEMBL4957910

O=S(=O)(NCC1CNC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.72
ALDH1A1 P00352 5/20 0.59
PKM P14618 2/20 0.59
CTSL P07711 2/20 0.57
CTSB P07858 2/20 0.57
CTSK P43235 2/20 0.57
KEAP1 Q14145 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TBXA2R P21731 1/20 0.48
PARG Q86W56 1/20 0.47

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
SCHEMBL4956177 0.85 GBA1 (0.65) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL2470122 0.84 GBA1 (1.00) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL13543087 0.83 GBA1 (0.78) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL3811045 0.81 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL8394068 0.81 GBA1 (0.86) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL30700167 0.80 CYP19A1 (0.54) GBA1ALDH1A1KMT2AMEN1POLB
SCHEMBL7886816 0.79 GBA1 (0.83) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL8396377 0.79 GBA1 (0.83) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL17206098 0.79 GBA1 (0.72) GBA1ALDH1A1PKMCTSLCTSB
SCHEMBL30700186 0.78 TSHR (0.60) GBA1ALDH1A1POLBKDM4EGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 GBA1 923/4885ALDH1A1 376/4885PKM 1224/4885

“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.