SCHEMBL3231897

SCHEMBL3231897

CCOC(=O)CN(CC(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 4/20 0.47
POLB P06746 3/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL3965814 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL3227271 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL3231744 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL3213698 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL3220490 0.83 KMT2A (0.49) ALDH1A1KDM4EPOLBHPGDHTT
SCHEMBL3219335 0.81 POLB (0.52) POLBHTTKMT2ALMNAMEN1
SCHEMBL3231891 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL3219867 0.80 THRB (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL3224429 0.80 THRB (0.38) ALDH1A1KMT2AMEN1
SCHEMBL3223456 0.78 HSP90AA1 (0.48) ALDH1A1POLBHTTKMT2AMEN1

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-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
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 4010/4885TSHR 3/4885

“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.