SCHEMBL4157468

SCHEMBL4157468

O=S(=O)(c1cccc(C=C2c3ccccc3CCc3ccccc32)c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
NR3C2 P08235 1/20 0.50
AR P10275 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.46
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
BRD4 O60885 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4166513 0.77 AR (0.66) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4168200 0.77 AR (0.59) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4175440 0.77 AR (0.59) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4166069 0.77 USP2 (0.43) ALDH1A1SMN1; SMN2GAALMNATSHR
SCHEMBL3343124 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAALMNANPSR1
SCHEMBL29533339 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAALMNANPSR1
SCHEMBL5002489 0.74 AR (0.62) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4161563 0.74 AR (0.58) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4164971 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAALMNAKDM4E
SCHEMBL4161295 0.73 KMT2A (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1

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 NR3C1 3/4885PGR 54/4885NR3C2 2/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 NR3C1 3/4885PGR 50/4885NR3C2 2/4885

“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.