SCHEMBL16259643

SCHEMBL16259643

COC(C)(C)c1cc(C(C)C)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PARG Q86W56 1/20 0.35
TSHR P16473 1/20 0.35
NSD2 O96028 2/20 0.33
HTT P42858 1/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PFKFB3 Q16875 1/20 0.31
PFKFB4 Q16877 1/20 0.31

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
SCHEMBL16849236 0.86 CNR1 (0.41) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL15723299 0.85 CNR1 (0.40) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL15723302 0.82 CNR1 (0.39) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL16849237 0.82 CNR1 (0.44) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL15723304 0.82 CNR1 (0.44) ALDH1A1SMN1; SMN2CNR1HPGDMAPT
SCHEMBL16261211 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBHPGDMAPT
SCHEMBL16259602 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL16259569 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL16259580 0.77 CNR1 (0.41) ALDH1A1SMN1; SMN2POLBCNR1HPGD
SCHEMBL13449501 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2POLBHPGDMAPT

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-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC ALDH1A1 2097/4885SMN1; SMN2 3179/4885POLB 2190/4885

“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.