SCHEMBL10201588

SCHEMBL10201588

C=CCOC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(O)COC(=O)c1c(-c2ccccc2)noc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PTBP1 P26599 1/20 0.40
MEN1 O00255 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
SCHEMBL311041 0.80 KLK5 (0.36) ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL1410130 0.76 ADRB2 (0.44) TSHRMAPK1ALDH1A1CYP3A4L3MBTL1
SCHEMBL1410128 0.76 ADRB2 (0.44) TSHRMAPK1ALDH1A1CYP3A4L3MBTL1
SCHEMBL10201581 0.76 ADRB2 (0.48) TSHRMAPK1ALDH1A1CYP3A4KDM4E
SCHEMBL10201585 0.76 ADRB2 (0.46) POLBALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5831798 0.75 KLK5 (0.50) ATMALDH1A1
SCHEMBL1410176 0.75 ADRB2 (0.47) NPC1ALDH1A1
SCHEMBL7345102 0.72 CASP1 (0.33) ALDH1A1SMN1; SMN2MAPT
SCHEMBL1409128 0.72 CASP1 (0.33) ALDH1A1SMN1; SMN2MAPT
SCHEMBL7286618 0.72 CASP1 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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 (2 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B POLB 508/4885ALOX15 917/4885TSHR 4701/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B POLB 508/4885ALOX15 917/4885TSHR 4701/4885

“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.