SCHEMBL20139622

SCHEMBL20139622

CC[C@]1(c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.57
KDM1A O60341 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
NR1I2 O75469 2/20 0.36
ABCB1 P08183 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
SCHEMBL23683611 1.00 RORC (0.57) RORCKDM1AKCNK3KCNK9NR1H2
SCHEMBL20139623 0.84 RORC (0.62) RORCKDM1ANR1H2NR1H3ESRRB
SCHEMBL20139582 0.84 RORC (0.62) RORCKDM1ANR1H2NR1H3ESRRB
SCHEMBL23683612 0.80 RORC (0.62) RORCKDM1ANR1H2NR1H3ABCB1
SCHEMBL20139649 0.80 RORC (0.62) RORCKDM1ANR1H2NR1H3ABCB1
SCHEMBL20139607 0.78 RORC (0.74) RORCNR1I2
SCHEMBL20139658 0.78 RORC (0.74) RORCNR1I2
SCHEMBL20139715 0.74 RORC (0.50) RORC
SCHEMBL23683610 0.74 RORC (0.50) RORC
SCHEMBL20149051 0.74 RORC (0.49) RORCKDM1ANR1I2ABCB1

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 4 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
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 1985/4885KCNK3 3194/4885

“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.