SCHEMBL12401348

SCHEMBL12401348

CCOC(=O)NCC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.36
VDR P11473 1/20 0.36
ACHE P22303 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2482646 0.80 GAA (0.59) GAAMGAMSIMGAM2EGLN1
SCHEMBL13309270 0.80 EPHX1 (0.39) EGLN1ALDH1A1HSD17B10TSHRVDR
SCHEMBL1980217 0.80 EGLN1 (0.63) GAAMGAMSIMGAM2EGLN1
SCHEMBL3709329 0.79 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11184401 0.78 ALDH1A1 (0.56) GAAMGAMSIMGAM2EGLN1
Hydrochloric Acid SCHEMBL27762950 0.78 GAA (0.57) GAAMGAMSIMGAM2EGLN1
SCHEMBL13223925 0.77 TDP1 (0.48) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL1912605 0.76 EGLN1 (0.63) GAAMGAMSIMGAM2EGLN1
SCHEMBL2651973 0.76 ALDH1A1 (0.46) GAAMGAMSIMGAM2EGLN1
SCHEMBL1645775 0.75 CYP2D6 (0.39) EGLN1ALDH1A1TSHRKMT2ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-26 US disclosed
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (6 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 GAA 773/4885MGAM 1994/4885SI 226/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 GAA 773/4885MGAM 1994/4885SI 226/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 GAA 751/4885MGAM 3178/4885SI 415/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 GAA 771/4885MGAM 2308/4885SI 259/4885
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR2C, HTR3A GAA 3077/4885MGAM 4428/4885SI 351/4885
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR1A, HTR2C GAA 2978/4885MGAM 2346/4885SI 429/4885

“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.