SCHEMBL3511151

SCHEMBL3511151

O=C(NCc1ccccc1)OC(CC1CCC1)C(O)C(=O)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
EPHX1 P07099 1/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLK7 P49862 1/20 0.43
USP2 O75604 1/20 0.42
MMP1 P03956 2/20 0.40
FCER2 P06734 2/20 0.40
GAA P10253 1/20 0.40
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
KLKB1 P03952 1/20 0.39
DRD4 P21917 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL27782445 0.80 ALDH1A1 (0.49) HPGDEPHX1RAB9ANPC1ALDH1A1
SCHEMBL2008481 0.78 ALDH1A1 (0.51) EPHX1ALDH1A1KMT2AGAA
SCHEMBL29214291 0.76 METAP2 (0.46) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29214293 0.76 METAP2 (0.46) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28784000 0.75 NPC1 (0.51) HPGDEPHX1RAB9ANPC1ALDH1A1
SCHEMBL28020511 0.73 SCN9A (0.43) RAB9AALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL842299 0.73 TP53 (0.44) ALDH1A1SMN1; SMN2METAP2METAP1CCR1
SCHEMBL19975381 0.70 SMN1; SMN2 (0.51) HPGDEPHX1RAB9ANPC1ALDH1A1
SCHEMBL4098800 0.69 CPB2 (0.41) HPGDEPHX1KMT2AMETAP2METAP1
SCHEMBL19974930 0.69 LTA4H (0.50) HPGDEPHX1RAB9ANPC1ALDH1A1

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-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 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-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HPGD 1247/4885EPHX1 924/4885RAB9A 3172/4885

“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.