SCHEMBL20068220

SCHEMBL20068220

CON(C)C(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)CC2C3C=C(F)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.40
▸ PGR P06401 2/20 0.40
▸ AR P10275 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SLCO1B3 Q9NPD5 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL16613939 1.00 NR3C1 (0.40) NR3C1PGRARPTGS1NR3C2
SCHEMBL16614004 0.92 NR3C1 (0.42) NR3C1PGRARPTGS1NR3C2
SCHEMBL20068222 0.92 NR3C1 (0.42) NR3C1PGRARPTGS1NR3C2
SCHEMBL30402420 0.91 NR3C1 (0.40) NR3C1PGRARPTGS1NR3C2
SCHEMBL20068185 0.89 NR3C1 (0.40) NR3C1PGRARPTGS1NR3C2
SCHEMBL20068224 0.89 NR3C1 (0.39) NR3C1PGRARPTGS1NR3C2
SCHEMBL20068225 0.89 NR3C1 (0.39) NR3C1PGRARPTGS1NR3C2
SCHEMBL20068223 0.89 NR3C1 (0.41) NR3C1PGRARPTGS1NR3C2
SCHEMBL20068221 0.89 NR3C1 (0.52) NR3C1PGRARPTGS1NR3C2
SCHEMBL20169789 0.85 KDM4E (0.38) KDM4EMEN1KMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954265-B2 Structures and mechanism for the design of highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2021-03-23 — — US disclosed
US-20190263853-A1 STRUCTURES AND MECHANISM FOR THE DESIGN OF HIGHLY POTENT GLUCOCORTICOIDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-08-29 — — US disclosed
WO-2018071736-A1 STRUCTURES AND MECHANISM FOR THE DESIGN OF HIGHLY POTENT GLUCOCORTICOIDS VAN ANDEL RESEARCH INSTITUTE (US) 2018-04-19 — — 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-20190263853-A1 STRUCTURES AND MECHANISM FOR THE DESIGN OF HIGHLY POTENT GLUCOCORTICOIDS NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 99/4885AR 42/4885
US-10954265-B2 Structures and mechanism for the design of highly potent glucocorticoids NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 99/4885AR 42/4885

“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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