SCHEMBL12272136

SCHEMBL12272136

O=C(O)Cc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
ATR Q13535 1/20 0.34
TP53 P04637 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL22941287 0.87 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24179545 0.86 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20818033 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1760288 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL3868044 0.84 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19915969 0.83 RXRA (0.54) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499128 0.82 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499127 0.82 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31179070 0.82 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22262021 0.82 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11

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
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
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
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 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-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS TSLP, CFTR, TPMT RXRA 730/4885RXRB 594/4885RXRG 686/4885

“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.