SCHEMBL12271663

SCHEMBL12271663

CCOC(OCC)c1cc(C)c(C(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
NPC1 O15118 8/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 6/20 0.39
KDM4E B2RXH2 4/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
KMT2A Q03164 10/20 0.39
MEN1 O00255 9/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 4/20 0.39
PKM P14618 1/20 0.39
STAT1 P42224 1/20 0.39
CASP3 P42574 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
SCHEMBL12273488 0.85 KMT2A (0.38) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL15714523 0.84 RAF1 (0.41) ALOX15RAB9ASMN1; SMN2NPC1HTT
SCHEMBL12272101 0.82 KMT2A (0.39) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL12271935 0.81 L3MBTL1 (0.38) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL12271897 0.80 TP53 (0.39) NPC1TP53MAPTALDH1A1HPGD
SCHEMBL12272416 0.78 LMNA (0.42) RAB9ASMN1; SMN2NPC1HTTTP53
SCHEMBL15711617 0.76 RAF1 (0.43) ALOX15RAB9ASMN1; SMN2NPC1HTT
SCHEMBL15698693 0.72 LMNA (0.39) MAPTALDH1A1HPGDKDM4ENFKB1
SCHEMBL2027674 0.71 MAPT (0.47) ALOX15RAB9ASMN1; SMN2NPC1HTT
SCHEMBL15698506 0.71 GAA (0.40) SMN1; SMN2MAPTALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 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-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS TSLP, CFTR, TPMT ALOX15 621/4885RAB9A 2334/4885SMN1; SMN2 3473/4885

“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.