Sugi Predict

Sugi Predict / Compounds / SCHEMBL9898388

SCHEMBL9898388

SCHEMBL9898388

N[C@@H](Cc1cnc[nH]1)C(=O)OS

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ SLC7A5 Q01650 1/20 0.67
▸ HRH4 Q9H3N8 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ NLN Q9BYT8 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL388562 0.89 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.87 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.87 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL153062 0.86 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3435176 0.86 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.86 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3434038 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3846866 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL6887974 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5503979 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119770365-A Composition containing sheep placenta peptide and preparation process thereof 首曜(江苏)生物科技有限公司 2025-04-08 — — CN disclosed
CN-119661841-A Prodrug molecule based on zwitterionic polyamide-amine dendrimer, nano drug-loaded micelle, and preparation method and application thereof 燕山大学 2025-03-21 — — CN disclosed
CN-105051057-B Cellular responsibility, long-acting or targeting compstatin analogs and compositions related and method 阿佩利斯制药公司 2019-11-19 — — CN disclosed
CN-110249053-A COMBINATION THERAPY FOR C3 INHIBITION 阿佩利斯制药有限公司 2019-09-17 — — CN disclosed
EP-3197874-B1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS UNIV CAPE TOWN (ZA) 2019-04-24 — — EP disclosed
US-9908854-B2 Process for synthesizing ergothioneine and related compounds UNIVERSITY OF CAPE TOWN (ZA) 2018-03-06 — — US disclosed
US-20170305865-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2017-10-26 — — US disclosed
CN-107050422-A Cellular responsibility, long-acting or targeting compstatin analogs and application thereof 阿佩利斯制药公司 2017-08-18 — — CN disclosed
EP-3197874-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS University of Cape Town (ZA) 2017-08-02 — — EP disclosed
CN-103687867-B Cell-reactive, long-acting or targeted compstatin analogs and uses thereof 阿佩利斯制药公司 2017-02-08 — — CN disclosed
CN-105473162-A vesicle SEQUESSOME TECH HOLDINGS LTD 2016-04-06 — — CN disclosed
WO-2016046618-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2016-03-31 — — WO disclosed
CN-104619311-A Vesicular formulations, kits and uses SEQUESSOME TECHNOLOGY HOLDINGS LTD 2015-05-13 — — CN disclosed
CN-104411298-A Vesicular formulations, uses and methods SEQUESSOME TECHNOLOGY HOLDINGS LTD 2015-03-11 — — CN disclosed
EP-2648675-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS International Flora Technologies, Ltd. (US) 2013-10-16 — — EP disclosed
WO-2012078658-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 — — WO disclosed
US-20120148517-A1 Hair Relaxing and Straightening Compositions INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 — — US disclosed
CN-101668880-B Connecting terminal, semiconductor package using connecting terminal and method for manufacturing semiconductor package HITACHI CHEMICAL CO LTD 2011-03-09 — — CN disclosed
CN-101668880-A Connecting terminal, semiconductor package using connecting terminal and method for manufacturing semiconductor package HITACHI CHEMICAL CO LTD 2010-03-10 — — CN 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 (2 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-20170305865-A1 PROCESS FOR SYNTHESIZING ERGOTHIONEINE AND RELATED COMPOUNDS CTH, FTH1, TXN CYP3A4 1884/4885SLC7A5 121/4885HRH4 70/4885
US-20120148517-A1 Hair Relaxing and Straightening Compositions PDE6G, SHH, DNMT3L CYP3A4 3733/4885SLC7A5 4286/4885HRH4 2770/4885

“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.