SCHEMBL2925353

SCHEMBL2925353

CSc1cccc(Sc2ccc(C=O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP2A6 P11509 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
NOTUM Q6P988 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ANXA2 P07355 1/20 0.37
S100A10 P60903 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL19914058 0.85 ALDH1A1 (0.86) ALDH1A1CYP1A2CYP1A1CYP1B1CYP2A6
SCHEMBL6848984 0.83 ALDH1A1 (0.47) ALDH1A1CYP2A6ANXA2S100A10RAB9A
SCHEMBL26861180 0.82 ANXA2 (0.40) ALDH1A1CYP1A2CYP1A1CYP1B1MEN1
SCHEMBL27461205 0.82 ALDH1A1 (0.38) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL17521461 0.82 ALDH1A1 (0.47) ALDH1A1CYP2A6MAPTNPC1NOTUM
SCHEMBL28439021 0.80 NOTUM (0.42) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL711416 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP1A1CYP1B1CYP2A6
SCHEMBL29951214 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP1A1CYP1B1CYP2A6
SCHEMBL21770156 0.79 ALDH1A1 (0.57) ALDH1A1CYP2A6MEN1KMT2AMAPT
SCHEMBL15240600 0.79 POLB (0.50) ALDH1A1MEN1KMT2ANOTUMANXA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS PFIZER (US) 2014-11-13 US disclosed
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS PFIZER (US) 2014-11-13 US disclosed
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS PFIZER (US) 2014-11-13 US disclosed
US-8822439-B2 Glucocorticoid receptor agonists PFIZER INC. (US) 2014-09-02 US disclosed
US-8822439-B2 Glucocorticoid receptor agonists PFIZER INC. (US) 2014-09-02 US disclosed
US-8822439-B2 Glucocorticoid receptor agonists PFIZER INC. (US) 2014-09-02 US disclosed
EP-2225256-B1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LTD (GB) 2013-01-09 EP disclosed
EP-2225256-B1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LTD (GB) 2013-01-09 EP disclosed
EP-2225256-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS Pfizer Limited (GB) 2010-09-08 EP disclosed
US-20090227548-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2009-09-10 US disclosed
US-20090227548-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2009-09-10 US disclosed
US-20090227548-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2009-09-10 US disclosed
WO-2009069032-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2009-06-04 WO disclosed
WO-2009069032-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2009-06-04 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 (2 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-20090227548-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R ALDH1A1 2013/4885CYP1A2 461/4885CYP1A1 428/4885
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS NR3C1, TSLP, MRGPRX2 ALDH1A1 2281/4885CYP1A2 540/4885CYP1A1 464/4885

“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.