SCHEMBL1427239

SCHEMBL1427239

CCn1c(-c2cccc(O)c2)csc1=Nc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
ALDH1A1 P00352 4/20 0.65
LMNA P02545 4/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MAPT P10636 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
GAA P10253 2/20 0.65
MAPK1 P28482 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
RECQL P46063 1/20 0.57
CA12 O43570 11/20 0.54
CA1 P00915 11/20 0.54
CA2 P00918 11/20 0.54
CA9 Q16790 11/20 0.54
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL1427238 1.00 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL12420309 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427483 0.89 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427482 0.89 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427918 0.88 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427956 0.88 NPC1 (0.59) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427953 0.88 NPC1 (0.59) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427921 0.88 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427940 0.86 CA12 (0.56) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL1427244 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US claimed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US claimed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP claimed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO claimed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US 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-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 SMN1; SMN2 4686/4885ALDH1A1 3671/4885LMNA 4113/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 SMN1; SMN2 4686/4885ALDH1A1 3671/4885LMNA 4113/4885

“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.