Sugi Predict

Sugi Predict / Compounds / SCHEMBL353179

SCHEMBL353179

SCHEMBL353179

NCC(CO)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.50
▸ EPHX1 P07099 1/20 0.48
▸ ALPI P09923 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ LAP3 P28838 3/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL5689338 1.00 TRPA1 (0.50) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL29822049 1.00 TRPA1 (0.50) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL5161982 0.86 TRPA1 (0.58) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL13721525 0.86 TRPA1 (0.58) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL516032 0.86 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL6563096 0.86 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8895212 0.83 SLC6A2 (0.47) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL8895209 0.83 SLC6A2 (0.47) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL27754378 0.83 TRPA1 (0.47) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL27482362 0.83 TRPA1 (0.47) TRPA1EPHX1ALPIPKMPTGS1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427578-B1 Substituted pyrrolopyridine-derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-08-30 — — US disclosed
EP-3655406-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-05-27 — — EP disclosed
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-24 — — WO disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 — — US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 — — US disclosed
CN-1924703-B Lithographic printing plate precursor, lithographic printing method, and novel cyanine dye FUJI PHOTO FILM CO LTD 2012-05-30 — — CN disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 — — US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 — — US disclosed
CN-101981505-A Immersion automatic development apparatus and automatic development method for manufacturing planographic printing plate FUJIFILM CORP 2011-02-23 — — CN disclosed
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 — — CN disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 — — EP disclosed
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 — — CN disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 — — US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 — — EP disclosed
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 — — CN disclosed
US-6184236-B1 Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative HOFFMANN-LA ROCHE INC. 2001-02-06 — — US disclosed
EP-0982026-A2 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 — — EP disclosed
EP-0217643-B1 METHOD FOR PROCESSING LIGHT-SENSITIVE SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1991-01-23 — — EP disclosed
EP-0217643-A2 Method for processing light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1987-04-08 — — EP disclosed
US-4216329-A FROM B-DICARBONYL COMPOUNDS BY OXIMINATION PHILIP MORRIS INCORPORATED (US) 1980-08-05 — — 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 TRPA1 4602/4885EPHX1 1287/4885ALPI 1810/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TRPA1 4441/4885EPHX1 574/4885ALPI 332/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TRPA1 4439/4885EPHX1 592/4885ALPI 352/4885
US-11427578-B1 Substituted pyrrolopyridine-derivatives MAP3K4, MAP4K4, MAP4K3 TRPA1 3260/4885EPHX1 3451/4885ALPI 3667/4885

“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.