SCHEMBL21783697

SCHEMBL21783697

CCS(=O)(=O)c1ccc(CNC(=O)N2CC(c3ccccc3)C(c3cccc(OC(F)(F)F)c3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 11/20 0.51
▸ TACR1 P25103 4/20 0.47
▸ BCL9 O00512 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ NR1I2 O75469 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL21783626 0.88 NAMPT (0.54) RORCTACR1NAMPT
SCHEMBL23021564 0.86 RORC (0.51) RORCTACR1BCL9CTNNB1CHRNA7
SCHEMBL20283006 0.86 RORC (0.51) RORCTACR1NR1I2
SCHEMBL20282907 0.86 RORC (0.56) RORCNR1I2NAMPT
SCHEMBL21783710 0.79 RORC (0.49) RORCNR1I2NAMPT
SCHEMBL21783621 0.79 RORC (0.49) RORCNR1I2NAMPT
SCHEMBL20282922 0.79 RORC (0.49) RORCNR1I2NAMPT
SCHEMBL20282923 0.79 RORC (0.47) RORCTACR1NR1I2NAMPT
SCHEMBL21783706 0.79 RORC (0.47) RORCTACR1NR1I2NAMPT
SCHEMBL20283027 0.77 RORC (0.47) RORCTACR1NR1I2CHRNA7NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 — — US disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 — — US 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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA RORC 2/4885TACR1 610/4885BCL9 938/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA RORC 1/4885TACR1 928/4885BCL9 1333/4885

“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