SCHEMBL4164971

SCHEMBL4164971

Cc1ccc(C=C2c3ccccc3CCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MIF P14174 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4166069 0.86 USP2 (0.43) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL4161295 0.85 KMT2A (0.44) ALDH1A1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL4170995 0.80 AR (0.44) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4175619 0.79 NR3C1 (0.43) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4169794 0.79 EPHX2 (0.42) ALDH1A1MAPK1KMT2ATP53KDM4E
SCHEMBL4162169 0.77 NR3C1 (0.44) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4159212 0.77 NR3C1 (0.42) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4157468 0.74 NR3C1 (0.50) ALDH1A1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL8351185 0.74 NR3C1 (0.50) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4165313 0.74 NR3C1 (0.42) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MAPT

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
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885MAPK1 1745/4885KMT2A 2460/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ALDH1A1 1728/4885MAPK1 1658/4885KMT2A 2288/4885

“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.