Sugi Predict

Sugi Predict / Compounds / SCHEMBL4485756

SCHEMBL4485756

SCHEMBL4485756

CCc1c(C(=O)O)nn(CC)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PTGES O14684 2/20 0.35
▸ HCAR2 Q8TDS4 2/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ HCAR3 P49019 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ PKM P14618 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
SCHEMBL6820020 0.70 NPC1 (0.44) NPC1KDM4EKMT2AHCAR3MAPT
SCHEMBL17917631 0.69 ALDH1A1 (0.48) NPC1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL14768604 0.69 NPC1 (0.47) NPC1ALDH1A1TSHRKDM4ELMNA
SCHEMBL23753197 0.68 HCAR2 (0.34) NPC1ALDH1A1KDM4EHCAR2KMT2A
SCHEMBL6079387 0.68 HCAR2 (0.38) NPC1ALDH1A1KDM4ELMNAHCAR2
SCHEMBL28511363 0.68 NPC1 (0.46) NPC1ALDH1A1TSHRKDM4ELMNA
SCHEMBL29127378 0.67 SMN1; SMN2 (0.47) ALDH1A1KDM4EKMT2APDE4DMAPT
SCHEMBL11690283 0.67 NPC1 (0.44) NPC1ALDH1A1TSHRKDM4ELMNA
SCHEMBL21753564 0.67 NPC1 (0.44) NPC1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL21753597 0.67 KDM4E (0.45) NPC1ALDH1A1KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646355-A Preparation method of 3-(hydroxymethyl)-1-methyl-pyrazole-5-formonitrile 戊言医药科技（上海）有限公司 2016-06-08 — — CN claimed
US-12129256-B2 Pyrazolo[1,5-a]pyrazin-4-yl derivatives PFIZER INC. (US) 2024-10-29 — — US disclosed
US-20230045252-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES PFIZER INC. (US) 2023-02-09 — — US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 — — US disclosed
US-11472809-B2 Pyrazolo[1,5-a]pyrazin-4-yl derivatives PFIZER INC. (US) 2022-10-18 — — US disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 — — WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 — — EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 — — CN disclosed
EP-3712153-B1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER (US) 2021-12-01 — — EP disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 — — WO disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 — — EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 — — US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 — — EP disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 — — US disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 — — US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 — — WO disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 — — US disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 — — WO disclosed
US-20020193388-A1 Pharmaceutically active compounds PFIZER INC. 2002-12-19 — — US disclosed
EP-1241170-A2 Pyrazolopyrimidine derivatives Pfizer Limited (GB) 2002-09-18 — — EP 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 (8 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 NPC1 559/4885ALDH1A1 995/4885TSHR 3120/4885
US-12129256-B2 Pyrazolo[1,5-a]pyrazin-4-yl derivatives CBR3, CNR1, CBR1 NPC1 461/4885ALDH1A1 3550/4885TSHR 21/4885
US-20230045252-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES CBR3, CNR1, CCR6 NPC1 523/4885ALDH1A1 3564/4885TSHR 22/4885
US-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B NPC1 3153/4885ALDH1A1 720/4885TSHR 4064/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK NPC1 333/4885ALDH1A1 651/4885TSHR 4598/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NPC1 3053/4885ALDH1A1 741/4885TSHR 1152/4885
US-20020193388-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3A NPC1 2939/4885ALDH1A1 497/4885TSHR 4231/4885
US-11472809-B2 Pyrazolo[1,5-a]pyrazin-4-yl derivatives SYMPK, IL15, STAT6 NPC1 722/4885ALDH1A1 1316/4885TSHR 3747/4885

“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.