SCHEMBL3775150

SCHEMBL3775150

O=C(N[C@@]1(C(=O)Nc2ccc(N3CCCCCC3=O)cc2)CCSC1)c1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.51
F2 P00734 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 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
SCHEMBL3779125 1.00 F10 (0.51) F10F2CTSLCTSBCTSS
SCHEMBL3781966 0.87 F10 (0.51) F10F2CTSLCTSBCTSS
SCHEMBL3780831 0.87 F10 (0.51) F10F2CTSLCTSBCTSS
SCHEMBL13012470 0.86 F10 (0.51) F10F2CTSLCTSBCTSS
SCHEMBL13012471 0.86 F10 (0.51) F10F2CTSLCTSBCTSS
SCHEMBL4477297 0.77 F10 (0.57) F10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3783204 0.75 F10 (0.47) F10F2
SCHEMBL3781974 0.75 F10 (0.47) F10F2
SCHEMBL4463545 0.74 F10 (0.56) F10
SCHEMBL3768935 0.74 F10 (0.56) 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 1005/4885F2 242/4885CTSL 1328/4885
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 1040/4885F2 214/4885CTSL 1225/4885

“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.