SCHEMBL13058477

SCHEMBL13058477

CC(C)c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
GLP1R P43220 1/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
S1PR4 O95977 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 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
SCHEMBL27828077 0.85 LMNA (0.36) LMNAALDH1A1KDM4EKMT2APARP1
SCHEMBL4266685 0.83 LMNA (0.36) LMNAALDH1A1KDM4EKMT2APARP1
SCHEMBL3259047 0.80 SMN1; SMN2 (0.44) LMNAALDH1A1KDM4EKMT2APARP1
SCHEMBL20606050 0.76 LMNA (0.39) LMNAALDH1A1PARP1SMN1; SMN2DYRK1A
SCHEMBL30637352 0.74 NPSR1 (0.42) LMNAALDH1A1KDM4EKMT2APARP1
SCHEMBL1750195 0.74 PARP1 (0.38) LMNAALDH1A1KDM4EKMT2APARP1
SCHEMBL4138614 0.74 NPSR1 (0.42) LMNAALDH1A1KDM4EKMT2APARP1
SCHEMBL5700409 0.73 CHRNA7 (0.46) CHRNA7NR1H2NR1H3HRH4PTGS2
SCHEMBL23015749 0.73 CHRNA7 (0.38) CHRNA7NR1H2NR1H3ALDH1A1
SCHEMBL12890470 0.73 DYRK1A (0.38) PARP1DYRK1ADYRK2DYRK1BGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202780-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF ESSA PHARMA INC. (CA) 2022-06-30 US disclosed
WO-2020198711-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS ESSA PHARMA, INC. (CA) 2020-10-01 WO disclosed
WO-2020198710-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF ESSA PHARMA, INC. (CA) 2020-10-01 WO disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 US disclosed
WO-2020081999-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 WO disclosed
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 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 (4 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-20220202780-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF AR, SHBG, NR5A1 CHRNA7 4161/4885NR1H2 148/4885NR1H3 164/4885
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CHRNA7 4640/4885NR1H2 4630/4885NR1H3 4710/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 CHRNA7 649/4885NR1H2 93/4885NR1H3 85/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CHRNA7 4640/4885NR1H2 4630/4885NR1H3 4710/4885

“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.