SCHEMBL2707464

SCHEMBL2707464

CSc1ccc(Sc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.53
PLK1 P53350 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
KDM4E B2RXH2 1/20 0.47
APEX1 P27695 1/20 0.47
HAO1 Q9UJM8 1/20 0.47
SRD5A2 P31213 2/20 0.46
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL27422 0.93 TSHR (0.60) HPGDALDH1A1PLK1TP53TSHR
SCHEMBL27890905 0.91 TSHR (0.57) HPGDALDH1A1PLK1TP53TSHR
SCHEMBL71112 0.89 TSHR (0.67) HPGDLMNAL3MBTL1ALDH1A1TP53
SCHEMBL15220063 0.89 TSHR (0.67) HPGDLMNAL3MBTL1ALDH1A1TP53
SCHEMBL15220060 0.89 TSHR (0.67) HPGDLMNAL3MBTL1ALDH1A1TP53
SCHEMBL3640502 0.87 HAO1 (0.61) ALDH1A1PLK1TP53TSHRRXRA
Barium SCHEMBL9452526 0.86 TSHR (0.63) HPGDLMNAL3MBTL1ALDH1A1TP53
Hydrochloric Acid SCHEMBL7138094 0.86 TSHR (0.63) HPGDLMNAL3MBTL1ALDH1A1TP53
SCHEMBL9459884 0.86 TSHR (0.63) HPGDLMNAL3MBTL1ALDH1A1TP53
SCHEMBL2705979 0.85 HPGD (0.53) HPGDLMNAL3MBTL1ALDH1A1PLK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 688/4885LMNA 4558/4885L3MBTL1 4858/4885

“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.