SCHEMBL2369665

SCHEMBL2369665

C=CCc1csc(Oc2ccc(NC(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.41
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RNF4 P78317 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL9502742 0.76 ALDH1A1 (0.40) ALDH1A1GAAMAPTSMN1; SMN2HPGD
SCHEMBL11134234 0.74 TGM2 (0.43) TGM2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9813659 0.69 ALDH1A1 (0.60) TGM2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL11237117 0.69 MTNR1A (0.54) ALDH1A1GAAMAPTSMN1; SMN2POLB
SCHEMBL22017029 0.68 XDH (0.37) TGM2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2369659 0.67 TGM2 (0.49) TGM2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4653369 0.65 HPGD (0.70) TGM2ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL20819430 0.64 SMN1; SMN2 (0.33) ALDH1A1GAAMAPTSMN1; SMN2L3MBTL1
Acrylic Acid SCHEMBL28690059 0.62 TGM2 (0.55) TGM2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL11394952 0.62 NPC1 (0.66) TGM2ALDH1A1GAAMAPTSMN1; SMN2

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-9867805-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-16 US disclosed
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-12-01 US disclosed
US-8937151-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-20 US disclosed
US-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-02-28 US disclosed
WO-2011109767-A2 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-09-09 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 (2 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-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 TGM2 674/4885ALDH1A1 325/4885GAA 113/4885
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 TGM2 674/4885ALDH1A1 325/4885GAA 113/4885

“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.