SCHEMBL3219302

SCHEMBL3219302

CCOC(=O)CNC(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)NC3CC4CCC3C4)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CNR1 P21554 1/20 0.34
RAB9A P51151 1/20 0.34
HTR3A P46098 2/20 0.33
PTGES O14684 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR5A P47898 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 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
SCHEMBL4170417 0.89 POLB (0.34) EPHX2KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL3223452 0.86 HSP90AA1 (0.46) EPHX2KMT2AALDH1A1HSP90AA1MEN1
SCHEMBL3219307 0.83 KMT2A (0.42) EPHX2KMT2AALDH1A1HSP90AA1TAS1R3
SCHEMBL3227781 0.81 KMT2A (0.41) EPHX2KMT2AALDH1A1HSP90AA1TAS1R3
SCHEMBL4251171 0.81 TAS1R3 (0.40) EPHX2KMT2AALDH1A1HSP90AA1TAS1R3
SCHEMBL3216075 0.80 THRB (0.36) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL3219860 0.79 THRB (0.39) KMT2AALDH1A1MEN1KDM4E
SCHEMBL3229441 0.79 POLB (0.50) ALDH1A1POLBRAB9AKDM4EHPGD
SCHEMBL3220483 0.78 KMT2A (0.45) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL4170419 0.78 POLB (0.41) EPHX2KMT2AALDH1A1HSP90AA1TAS1R3

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 EPHX2 3607/4885KMT2A 4326/4885ALDH1A1 1801/4885

“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.