SCHEMBL2707655

SCHEMBL2707655

COc1cc(Sc2ccc(C(=O)O)cc2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TPMT P51580 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
TTR P02766 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL2706325 0.85 TSHR (0.50) RARBRARGRXRARXRBRXRG
SCHEMBL411025 0.82 CA12 (0.69) CA1CA2CA12CA4CA6
SCHEMBL364210 0.80 TSHR (0.62) CA1CA12CA9RARBRARG
SCHEMBL2707516 0.78 TSHR (0.48) CA1CA2CA12CA4CA6
SCHEMBL8533409 0.77 CLCN2 (0.46) CA1CA2CA12CA4CA7
SCHEMBL1332102 0.77 CPT1A (0.54) CA1CA2CA12CA4CA6
SCHEMBL2705266 0.77 TSHR (0.54) RARBRARGRXRARXRBRXRG
Acetamide SCHEMBL28816780 0.76 CA12 (0.66) CA1CA2CA12CA4CA6
SCHEMBL11478744 0.75 AKR1C3 (0.42) LMNAKDM4EALDH1A1MAPT
SCHEMBL6932815 0.75 CA1 (0.77) CA1CA2RARBRARGRXRA

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 CA1 4563/4885CA2 3320/4885CA12 4577/4885

“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.