SCHEMBL7375518

SCHEMBL7375518

COC(=O)[C@H](C)N(C(=O)OCc1ccccc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ENPP2 Q13822 1/20 0.41
GAA P10253 1/20 0.41
CPB1 P15086 1/20 0.41

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
SCHEMBL7275332 0.94 ENPP2 (0.49) SIGMAR1ABCB1ALDH1A1TSHRMEN1
SCHEMBL7382258 0.91 ALDH1A1 (0.46) SIGMAR1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL5981283 0.84 ENPP2 (0.52) SIGMAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL7033170 0.84 ENPP2 (0.52) SIGMAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL1799143 0.84 ENPP2 (0.52) SIGMAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL10382912 0.82 CYP3A4 (0.40) SIGMAR1ABCB1ALDH1A1CYP2C9CYP2C19
SCHEMBL15649454 0.81 ENPP2 (0.44) SIGMAR1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL4656307 0.81 L3MBTL1 (0.44) SIGMAR1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL15648931 0.81 ENPP2 (0.47) SIGMAR1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL5123960 0.81 ALDH1A1 (0.52) SIGMAR1ALDH1A1CYP1A2TSHRMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG SIGMAR1 4875/4885ABCB1 629/4885ALDH1A1 2831/4885

“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.