SCHEMBL8175192

SCHEMBL8175192

COC(=O)[C@@H]1C[C@@H](OC(=O)N2CCCCC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.47
PREP P48147 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADAM10 O14672 1/20 0.44
ERBB2 P04626 1/20 0.44
MMP2 P08253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL1795210 0.89 SMN1; SMN2 (0.50) PREPNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL2099892 0.86 TMEM97 (0.48) PREPNPC1RAB9ANPSR1
SCHEMBL16143784 0.86 TMEM97 (0.48) PREPNPC1RAB9ANPSR1
SCHEMBL464252 0.86 TMEM97 (0.48) PREPNPC1RAB9ANPSR1
SCHEMBL2999647 0.85 POLB (0.49) FKBP1APREPNPC1RAB9ASMN1; SMN2
SCHEMBL9098331 0.85 POLB (0.49) FKBP1APREPNPC1RAB9ASMN1; SMN2
SCHEMBL6665516 0.85 POLB (0.49) FKBP1APREPNPC1RAB9ASMN1; SMN2
SCHEMBL3005973 0.85 POLB (0.49) FKBP1APREPNPC1RAB9ASMN1; SMN2
SCHEMBL15399834 0.84 MITF (0.50) FKBP1APREPMMP2NPSR1HTT
SCHEMBL15399835 0.84 MITF (0.50) FKBP1APREPMMP2NPSR1HTT

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-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
WO-2008097676-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-08-14 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 (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-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 FKBP1A 2148/4885PREP 102/4885NPC1 726/4885

“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.