SCHEMBL2707516

SCHEMBL2707516

O=C(O)c1ccc(Sc2ccc(Cl)c(O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
KDM4E B2RXH2 2/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
APEX1 P27695 2/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
RXRG P48443 1/20 0.48
SRD5A2 P31213 3/20 0.47
CTRC Q99895 1/20 0.45
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 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
SCHEMBL27869003 0.86 KDM4E (0.48) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL364210 0.86 TSHR (0.62) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL1121596 0.79 TSHR (0.68) TSHRKDM4ERXRARXRBSRD5A2
SCHEMBL15220063 0.79 TSHR (0.67) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL71112 0.79 TSHR (0.67) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL15220060 0.79 TSHR (0.67) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL2707655 0.78 CA1 (0.47) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL9418093 0.77 TSHR (0.74) TSHRKDM4ERXRARXRBAPEX1
SCHEMBL9418097 0.77 TSHR (0.74) TSHRKDM4ERXRARXRBAPEX1
Barium SCHEMBL9452526 0.77 TSHR (0.63) TSHRKDM4ERXRARXRBAPEX1

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
CN-102448978-A Novel Glucocorticoid Receptor Agonists PFIZER LTD 2012-05-09 CN claimed
CN-102448978-A Novel Glucocorticoid Receptor Agonists PFIZER LTD 2012-05-09 CN disclosed
EP-2435462-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS Pfizer Limited (GB) 2012-04-04 EP disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US 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-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R TSHR 431/4885KDM4E 3887/4885RXRA 538/4885

“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.