SCHEMBL3221713

SCHEMBL3221713

CCOC(=O)CN(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)NC3CCC3)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 2/20 0.40
RAB9A P51151 2/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL3220560 0.98 L3MBTL1 (0.43) L3MBTL1THRBRAB9AKDM1AALDH1A1
SCHEMBL3230921 0.87 ALDH1A1 (0.41) THRBALDH1A1
SCHEMBL3227781 0.87 KMT2A (0.41) THRBRAB9AALDH1A1KDM4E
SCHEMBL3226135 0.83 MAPT (0.43) THRBRAB9AALDH1A1KDM4ENPC1
SCHEMBL3229540 0.83 THRB (0.50) THRBRAB9ANPC1
SCHEMBL3227779 0.83 TSHR (0.38) THRBALDH1A1
SCHEMBL3227818 0.82 TSHR (0.39) THRBALDH1A1KDM4E
SCHEMBL3220555 0.82 KMT2A (0.47) L3MBTL1THRBRAB9AALDH1A1KDM4E
SCHEMBL3224530 0.81 POLB (0.45) THRBRAB9AALDH1A1KDM4E
SCHEMBL3230483 0.81 THRB (0.51) THRBRAB9AALDH1A1KDM4ENPC1

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 L3MBTL1 4461/4885THRB 1/4885RAB9A 2512/4885

“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.