SCHEMBL3227271

SCHEMBL3227271

CCOC(=O)CN(C(=O)Oc1ccc(OC)cc1)c1cc(Cl)c(Oc2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TSHR P16473 3/20 0.45
PKM P14618 1/20 0.45
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 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
SCHEMBL3231744 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ETSHRPKM
SCHEMBL3213698 0.99 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ETSHRPKM
SCHEMBL3219335 0.92 POLB (0.52) HTTPOLBKMT2AMEN1
SCHEMBL3231897 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ETSHRPKM
SCHEMBL3227581 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL3223189 0.85 NPSR1 (0.41) ALDH1A1SMN1; SMN2KDM4ETSHRMAPT
SCHEMBL3219140 0.85 KMT2A (0.46) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL3231409 0.85 POLB (0.45) ALDH1A1SMN1; SMN2TSHRPKMPOLB
SCHEMBL3965814 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ETSHRHTT
SCHEMBL3227763 0.84 POLB (0.42) ALDH1A1SMN1; SMN2TSHRPOLBKMT2A

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 ALDH1A1 1801/4885SMN1; SMN2 4010/4885KDM4E 4364/4885

“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.