SCHEMBL4728176

SCHEMBL4728176

Cc1ncsc1C(=O)OC1(C(=O)SCF)C(C)C[C@H]2[C@@H]3CC(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 14/20 0.73
▸ PGR P06401 5/20 0.73
▸ AR P10275 5/20 0.73
▸ CYP3A4 P08684 4/20 0.73
▸ NR3C2 P08235 2/20 0.73
▸ ADORA3 P0DMS8 2/20 0.73
▸ NR1I2 O75469 1/20 0.73
▸ CNR1 P21554 1/20 0.71
▸ PTGS1 P23219 1/20 0.71
▸ MEN1 O00255 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HIF1A Q16665 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CHRM1 P11229 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ ABCB11 O95342 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL3223453 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL5700595 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL111403 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4654367 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL5495390 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4156578 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4728177 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4826587 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL409204 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2
SCHEMBL4165771 1.00 NR3C1 (0.73) NR3C1PGRARCYP3A4NR3C2

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-7439393-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-21 — — US claimed
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2008-01-03 — — US claimed
CN-106432246-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-07-07 — — CN disclosed
WO-2008024728-A2 AEROSOL INHALER WITH AIRFLOW INTRODUCED INTO MOUTHPIECE GLAXO GROUP LIMITED (GB) 2008-02-28 — — WO disclosed
EP-1848444-A1 PROCESSES FOR MAKING LACTOSE UTILIZING PRE-CLASSIFICATION TECHNIQUES AND PHARMACEUTICAL FORMULATIONS FORMED THEREFROM GLAXO GROUP LIMITED (GB) 2007-10-31 — — EP disclosed
WO-2006086270-A1 PROCESSES FOR MAKING LACTOSE UTILIZING PRE-CLASSIFICATION TECHNIQUES AND PHARMACEUTICAL FORMULATIONS FORMED THEREFROM GLAXO GROUP LIMITED (GB) 2006-08-17 — — 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-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 NR3C1 2819/4885PGR 2859/4885AR 4719/4885

“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.

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