SCHEMBL6429604

SCHEMBL6429604

[CH2]CC1(S)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.41
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40
NR1H2 P55055 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL25245464 0.87 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL7750228 0.87 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15770602 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL19123466 0.81 USP2 (0.42) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL25204559 0.79 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL18049862 0.79 USP2 (0.55) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL563630 0.77 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL28213298 0.77 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL346995 0.77 USP2 (0.56) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL3436829 0.77 USP2 (0.56) USP2SMN1; SMN2HPGDEPHX2RECQL

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
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 EP disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 USP2 2602/4885SMN1; SMN2 2977/4885HPGD 151/4885

“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.