Sugi Predict

Sugi Predict / Compounds / SCHEMBL764243

SCHEMBL764243

SCHEMBL764243

CC(C)(C(=O)O)C(c1ccccc1)c1ccc(N2CCC(O)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ DGAT1 O75907 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ME2 P23368 1/20 0.38
▸ ME1 P48163 1/20 0.38
▸ ME3 Q16798 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CKS1B P61024 1/20 0.37

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
SCHEMBL764974 0.88 ATM (0.41) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL10331381 0.87 CNR2 (0.43) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL764283 0.85 ALDH1A1 (0.46) LMNAKDM4EDGAT1SMN1; SMN2NPC1
SCHEMBL12592344 0.83 RORC (0.46) SMN1; SMN2ALDH1A1MAPTME3KMT2A
SCHEMBL751778 0.81 NR3C1 (0.61) —
SCHEMBL752641 0.75 CYP1A2 (0.45) LMNAKDM4EDGAT1SMN1; SMN2NPC1
SCHEMBL10141652 0.75 LCAT (0.47) MAPTGPR119HRH3OGA
SCHEMBL751636 0.72 NR3C1 (0.42) L3MBTL1LMNAALDH1A1
SCHEMBL2896278 0.71 NR3C1 (0.47) L3MBTL1LMNAKMT2AMAPK1
SCHEMBL23425761 0.70 LMNA (0.51) LMNASMN1; SMN2ALDH1A1MAPTKMT2A

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
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 — — EP disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 — — US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 — — US disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — 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 (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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA L3MBTL1 2478/4885LMNA 3235/4885KDM4E 4032/4885

“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.