SCHEMBL16614003

SCHEMBL16614003

C[C@@H]1CC2C3C=C(F)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NR3C1 P04150 19/20 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
SCHEMBL20169814 1.00 KDM4E (0.53) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL16614004 0.83 NR3C1 (0.42) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068222 0.83 NR3C1 (0.42) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20169789 0.80 KDM4E (0.38) KDM4EMEN1KMT2ANPSR1
SCHEMBL20068223 0.79 NR3C1 (0.41) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068224 0.79 NR3C1 (0.39) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068225 0.79 NR3C1 (0.39) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068185 0.79 NR3C1 (0.40) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068220 0.79 NR3C1 (0.40) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068221 0.79 NR3C1 (0.52) KDM4EMEN1KMT2ANPSR1NR3C1

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 9 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
EP-3049089-B1 HIGHLY POTENT GLUCOCORTICOIDS VAN ANDEL RES INSTITUTE (US) 2019-08-21 — — EP disclosed
US-9975918-B2 Highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
US-9975918-B2 Highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2018-05-22 — — 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
US-20160251393-A1 Highly Potent Glucocorticoids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 — — US disclosed
US-20160251393-A1 Highly Potent Glucocorticoids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 — — US disclosed
WO-2015048316-A1 HIGHLY POTENT GLUCOCORTICOIDS VAN ANDEL RESEARCH INSTITUTE (US) 2015-04-02 — — 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 (3 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-20160251393-A1 Highly Potent Glucocorticoids NR3C1, NR3C2, MC2R KDM4E 2582/4885MEN1 870/4885KMT2A 4497/4885
US-20190263853-A1 STRUCTURES AND MECHANISM FOR THE DESIGN OF HIGHLY POTENT GLUCOCORTICOIDS NR3C1, NR3C2, MC2R KDM4E 3645/4885MEN1 603/4885KMT2A 4796/4885
US-10954265-B2 Structures and mechanism for the design of highly potent glucocorticoids NR3C1, NR3C2, MC2R KDM4E 3645/4885MEN1 603/4885KMT2A 4796/4885

“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.

Send feedback