SCHEMBL2705979

SCHEMBL2705979

CSc1cccc(Sc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ALDH1A1 P00352 1/20 0.53
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
KDM4E B2RXH2 2/20 0.48
APEX1 P27695 2/20 0.48
MCL1 Q07820 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL2707464 0.85 HPGD (0.56) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL1447749 0.84 HPGD (0.66) HPGDALDH1A1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL7134403 0.82 HPGD (0.63) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL2705257 0.82 MAPT (0.49) HPGDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL18408697 0.81 SMN1; SMN2 (0.47) HPGDALDH1A1KDM4EMCL1HSD17B10
SCHEMBL26861180 0.81 ANXA2 (0.40) HPGDALDH1A1HSD17B10CYP1A2MEN1
SCHEMBL689927 0.81 HPGD (0.69) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL6934832 0.81 CA12 (0.55) HPGDALDH1A1RXRARXRBRXRG
SCHEMBL29664414 0.80 HSD17B10 (0.70) HPGDALDH1A1KDM4EAPEX1MCL1
SCHEMBL659462 0.80 HSD17B10 (0.70) HPGDALDH1A1KDM4EAPEX1MCL1

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 HPGD 688/4885ALDH1A1 2013/4885RXRA 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.