SCHEMBL16259656

SCHEMBL16259656

CC(C)c1ccc(C(=O)NCC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39
TP53BP1 Q12888 1/20 0.39
SORT1 Q99523 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
CYP26A1 O43174 1/20 0.37
ADORA2A P29274 1/20 0.36
ESRRG P62508 2/20 0.36
CYP2D6 P10635 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGES O14684 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
SCHEMBL19590551 0.90 ESRRG (0.39) CNR2PLGKLK1KLK6TP53BP1
SCHEMBL16259636 0.88 BRD4 (0.39) PLGKLK1KLK6TP53BP1SORT1
SCHEMBL16259637 0.82 POLB (0.40) PLGKLK1KLK6TP53BP1SORT1
SCHEMBL16261174 0.80 SMN1; SMN2 (0.43) ADORA2AESRRGRAB9ASMN1; SMN2NR5A2
SCHEMBL16259655 0.79 EPHX1 (0.53) CNR2MEN1RAB9AKMT2A
SCHEMBL10699529 0.79 CYP2C9 (0.46) SORT1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL22618725 0.76 RAB9A (0.56) ADORA2ACYP2D6CYP2C9HIF1AMEN1
SCHEMBL16473851 0.76 TSHR (0.45) CNR2ADORA2AESRRGPTGESTSHR
SCHEMBL21372545 0.75 CYP2D6 (0.39) CYP2D6HSP90AA1HSP90AB1CYP1A2CYP2C9
SCHEMBL16259642 0.74 HSP90AA1 (0.40) PLGKLK1KLK6CYP26A1CYP2D6

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-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 CNR2 65/4885PLG 4457/4885KLK1 4268/4885

“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.