SCHEMBL4137808

SCHEMBL4137808

O=C(N[C@H]1CCC[C@H]1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KIT P10721 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ACLY P53396 1/20 0.38
HCRTR1 O43613 1/20 0.38
USP2 O75604 2/20 0.38
USP8 P40818 2/20 0.38
HTR6 P50406 4/20 0.38
MAPT P10636 2/20 0.38
SCN9A Q15858 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL4137805 1.00 CNR1 (0.40) CNR1PTPN2PTPN1PTPN5ERAP1
SCHEMBL3955415 0.92 SERPINE1 (0.43) PTPN5MEN1KMT2AHTR6LMNA
SCHEMBL3955418 0.92 SERPINE1 (0.43) PTPN5MEN1KMT2AHTR6LMNA
SCHEMBL4152162 0.92 FABP1 (0.39) CNR1KITHTR6
SCHEMBL3952175 0.92 FABP1 (0.39) CNR1KITHTR6
SCHEMBL13906322 0.91 TRPV1 (0.40) PTPN2PTPN1PTPN5ERAP1MEN1
SCHEMBL4138419 0.90 SERPINE1 (0.45) CNR1HCRTR1HTR6MAPTSCN9A
SCHEMBL4138421 0.90 SERPINE1 (0.45) CNR1HCRTR1HTR6MAPTSCN9A
SCHEMBL4072263 0.84 ACLY (0.48) PTPN2PTPN1PTPN5ERAP1KIT
SCHEMBL4139170 0.82 ALDH1A1 (0.36) PTPN5MEN1KMT2AHTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 CNR1 1177/4885PTPN2 1240/4885PTPN1 1440/4885

“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.