SCHEMBL13708152

SCHEMBL13708152

COC(=O)NCCSSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
RECQL P46063 1/20 0.44
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 4/20 0.42
USP2 O75604 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL17548578 0.85 IDO1 (0.51) MTNR1AMTNR1BNPC1RAB9AGAA
SCHEMBL14277764 0.78 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL28598895 0.77 ALDH1A1 (0.44) MTNR1AMTNR1BRAB9ASMN1; SMN2ALDH1A1
SCHEMBL19869139 0.74 LMNA (0.49) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23051110 0.73 HTT (0.47) MTNR1AMTNR1BSMN1; SMN2ALDH1A1HTT
SCHEMBL1395738 0.71 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC4
SCHEMBL18211081 0.71 CYP1A2 (0.45) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL2095490 0.70 TAAR1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL10862913 0.70 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL12317734 0.70 ALDH1A1 (0.46) MTNR1AMTNR1BNPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592307-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2009-09-22 US disclosed
US-20080279922-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2008-11-13 US disclosed
US-7238368-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2007-07-03 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 (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-20080279922-A1 Releasable linkage and compositions containing same CD44, SHMT1, HCAR1 MTNR1A 3064/4885MTNR1B 2717/4885NPC1 2949/4885

“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.