SCHEMBL4432223

SCHEMBL4432223

Cc1ccc(S(=O)(=O)NCCC[C@H](N)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
NPSR1 Q6W5P4 1/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HTT P42858 1/20 0.53
GBA1 P04062 1/20 0.52
ALOX15 P16050 1/20 0.52
MBTD1 Q05BQ5 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL9497964 0.96 ALDH1A1 (0.55) ALDH1A1NPSR1CA12CA2CA9
SCHEMBL3730989 0.96 ALDH1A1 (0.55) ALDH1A1NPSR1CA12CA2CA9
SCHEMBL3449699 0.96 ALDH1A1 (0.55) ALDH1A1NPSR1CA12CA2CA9
Hydrochloric Acid SCHEMBL4438846 0.95 ALDH1A1 (0.54) ALDH1A1NPSR1CA12CA2CA9
SCHEMBL8023841 0.92 GBA1 (0.55) ALDH1A1NPSR1CA12CA2CA9
Hydrochloric Acid SCHEMBL8567005 0.90 GBA1 (0.54) ALDH1A1NPSR1CA12CA2CA9
SCHEMBL7762828 0.88 ALDH1A1 (0.48) ALDH1A1NPSR1CA12CA2CA9
Hydrochloric Acid SCHEMBL11261063 0.87 ALDH1A1 (0.47) ALDH1A1NPSR1CA12CA2CA9
SCHEMBL10825521 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1HTTGBA1L3MBTL1
SCHEMBL10373800 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1CA12CA2CA9

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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 ALDH1A1 1639/4885NPSR1 474/4885CA12 3615/4885

“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.