SCHEMBL3227763

SCHEMBL3227763

CCOC(=O)CN(C(=O)Oc1ccc(OC)cc1)c1cc(Cl)c(Oc2ccc(OC)c(S(=O)(=O)NC3CCC3)c2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37

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
SCHEMBL3231409 0.98 POLB (0.45) POLBSMN1; SMN2TP53CASP1KMT2A
SCHEMBL3226082 0.88 ALDH1A1 (0.45) POLBKMT2AALDH1A1MEN1TSHR
SCHEMBL3223189 0.88 NPSR1 (0.41) SMN1; SMN2TP53KMT2ATHRBALDH1A1
SCHEMBL3213698 0.85 ALDH1A1 (0.45) POLBSMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL3227581 0.84 ALDH1A1 (0.42) KMT2AALDH1A1MEN1TSHRGAA
SCHEMBL3231744 0.84 ALDH1A1 (0.46) POLBSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3227271 0.84 ALDH1A1 (0.46) POLBSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3219335 0.81 POLB (0.52) POLBKMT2AMEN1
SCHEMBL3225634 0.81 ALDH1A1 (0.39) SMN1; SMN2TP53KMT2ATHRBALDH1A1
SCHEMBL3217882 0.80 ALDH1A1 (0.38) KMT2ATHRBALDH1A1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420851-B2 Selective TR-β 1 agonist CADILA HEALTHCARE LIMITED (IN) 2013-04-16 US claimed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP claimed
US-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-02-25 US claimed
EP-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP claimed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed
US-8420851-B2 Selective TR-β 1 agonist CADILA HEALTHCARE LIMITED (IN) 2013-04-16 US disclosed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP disclosed
US-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-02-25 US disclosed
EP-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP disclosed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 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-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST THRB, THRA, TSHR POLB 2908/4885SMN1; SMN2 4010/4885TP53 4486/4885

“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.