SCHEMBL3781966

SCHEMBL3781966

O=C(N[C@]1(C(=O)Nc2ccc(N3CCCCCC3=O)c(Cl)c2)CCSC1)c1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
CTSL P07711 1/20 0.38

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
SCHEMBL3780831 1.00 F10 (0.51) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4477297 0.91 F10 (0.57) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13062210 0.87 F10 (0.53) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13062218 0.87 F10 (0.53) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3775150 0.87 F10 (0.51) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3779125 0.87 F10 (0.51) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4463211 0.84 F10 (0.58) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4465226 0.82 F10 (0.58) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4463938 0.82 F10 (0.58) F10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4463904 0.81 F10 (0.68) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 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-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 F10 1005/4885SMN1; SMN2 2225/4885NPC1 4230/4885
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 F10 1040/4885SMN1; SMN2 2103/4885NPC1 4236/4885

“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.