SCHEMBL20139582

SCHEMBL20139582

CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@@](C)(c2ccccc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.62
KDM1A O60341 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
RCOR1 Q9UKL0 1/20 0.36
ESRRB O95718 1/20 0.36
ESR1 P03372 1/20 0.36
ESRRA P11474 1/20 0.36
ESRRG P62508 1/20 0.36

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
SCHEMBL20139623 1.00 RORC (0.62) RORCKDM1ANR1H2NR1H3RCOR1
SCHEMBL23683612 0.96 RORC (0.62) RORCKDM1ANR1H2NR1H3
SCHEMBL20139649 0.96 RORC (0.62) RORCKDM1ANR1H2NR1H3
SCHEMBL20139715 0.89 RORC (0.50) RORC
SCHEMBL23683610 0.89 RORC (0.50) RORC
SCHEMBL20149051 0.89 RORC (0.49) RORCKDM1A
SCHEMBL23683611 0.84 RORC (0.57) RORCKDM1ANR1H2NR1H3ESRRB
SCHEMBL20139622 0.84 RORC (0.57) RORCKDM1ANR1H2NR1H3ESRRB
SCHEMBL23683589 0.77 RORC (1.00) RORC
SCHEMBL20139644 0.77 RORC (1.00) RORC

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-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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-11078186-B2 ROR γ modulators RORB, RORC, RORA RORC 2/4885KDM1A 1985/4885NR1H2 5/4885

“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.