SCHEMBL16553844

SCHEMBL16553844

O=C(CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 15/20 0.49
▸ GLA P06280 1/20 0.40
▸ TSHR P16473 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 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
SCHEMBL19240980 0.82 GLA (0.40) RORCGLATSHR
SCHEMBL16553618 0.81 MTNR1A (0.49) GLATSHR
SCHEMBL21787545 0.72 RORC (0.55) RORCNR1H3
SCHEMBL18197189 0.72 NOD2 (0.35) RORC
SCHEMBL14822091 0.72 GLA (0.55) GLATSHR
SCHEMBL18896616 0.72 RORC (0.87) RORC
SCHEMBL18896617 0.72 RORC (0.87) RORC
SCHEMBL16553718 0.72 RORC (0.87) RORC
SCHEMBL16564686 0.69 GAA (0.46) RORCNR1H2NR1H3
SCHEMBL11472931 0.69 AR (0.42) RORCTSHRNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046906-B1 ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
EP-3046906-B1 ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
US-9725443-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 — — US disclosed
US-9725443-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 — — US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 — — US disclosed
US-20160229844-A1 RORgamma MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-11 — — US disclosed
EP-3046906-A1 ROR MODULATORS Bristol-Myers Squibb Company (US) 2016-07-27 — — EP disclosed
EP-3044219-A1 RORGAMMA MODULATORS Bristol-Myers Squibb Company (US) 2016-07-20 — — EP disclosed
WO-2015042212-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 — — WO disclosed
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 — — 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-20160318870-A1 RORy MODULATORS RORB, RORC, RORA RORC 2/4885GLA 1584/4885TSHR 417/4885
US-20160229844-A1 RORgamma MODULATORS RORB, RORC, RORA RORC 2/4885GLA 1397/4885TSHR 516/4885

“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