SCHEMBL21028136

SCHEMBL21028136

CC1(C)COCCN1Cc1ccc(CCSS)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
GRM2 Q14416 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PDE1B Q01064 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
CYP2A13 Q16696 1/20 0.30
PIK3C2B O00750 2/20 0.30

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
SCHEMBL21028137 0.82 RORC (0.41) RORCALDH1A1KDM4EKMT2AMEN1
SCHEMBL16852479 0.81 CYP2A13 (0.39) RORCALDH1A1KDM4EKMT2AMEN1
SCHEMBL18077904 0.80 RORC (0.39) RORCALDH1A1KDM4EKMT2AMEN1
SCHEMBL15536592 0.80 RORC (0.39) RORCALDH1A1KDM4EKMT2AMEN1
SCHEMBL16849155 0.78 RORC (0.39) RORCALDH1A1KDM4EKMT2AMEN1
SCHEMBL15560557 0.76 RORC (0.37) RORCALDH1A1KDM4EKMT2AMEN1
SCHEMBL6132960 0.70 JAK2 (0.44) ALDH1A1KDM4ELMNAGAAJAK2
SCHEMBL17709857 0.67 CYP2A13 (0.38) RORCALDH1A1LMNAMAPTJAK2
SCHEMBL11018891 0.66 SIGMAR1 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL21028170 0.65 ALOX5AP (0.36) ALDH1A1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 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 (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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC RORC 3/4885ALDH1A1 671/4885KDM4E 2217/4885

“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.