Sugi Predict

Sugi Predict / Compounds / SCHEMBL4096230

SCHEMBL4096230

SCHEMBL4096230

NC(=O)NCC1CCN(C(=O)[CH]Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 4/20 0.43
▸ TPSD1 Q9BZJ3 4/20 0.43
▸ TPSG1 Q9NRR2 4/20 0.43
▸ F2 P00734 2/20 0.43
▸ PLG P00747 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ GRIN2B Q13224 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3137377 0.91 TPSAB1 (0.43) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL3145712 0.83 SIGMAR1 (0.44) SIGMAR1MEN1KMT2A
SCHEMBL28757734 0.81 CACNA1B (0.50) ALDH1A1TSHRKMT2A
SCHEMBL3140933 0.79 POLB (0.41) ALDH1A1TSHR
SCHEMBL4086461 0.79 ADRB2 (0.41) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL3255015 0.79 SIGMAR1 (0.42) SIGMAR1MEN1KMT2A
SCHEMBL3136133 0.77 CA12 (0.38) SIGMAR1ALDH1A1TSHR
SCHEMBL3131545 0.76 CCR5 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL7360351 0.75 PARP14 (0.40) TPSAB1TPSD1TPSG1GRIN2BHDAC6
SCHEMBL7361150 0.74 FAAH (0.40) GRIN2BALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 — — US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 — — US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 — — US disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 — — 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 (3 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB TPSAB1 1348/4885TPSD1 1799/4885TPSG1 2244/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TPSAB1 1348/4885TPSD1 1799/4885TPSG1 2244/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TPSAB1 1348/4885TPSD1 1799/4885TPSG1 2244/4885

“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.