Sugi Predict

Sugi Predict / Compounds / SCHEMBL858792

SCHEMBL858792

SCHEMBL858792

CSC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MIF P14174 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
SCHEMBL13533438 1.00 ALDH1A1 (0.49) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL858791 1.00 ALDH1A1 (0.49) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7761445 0.93 RAB9A (0.46) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7754976 0.93 RAB9A (0.46) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7758925 0.93 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7758927 0.93 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL8063409 0.90 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL12217782 0.89 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7342218 0.89 SYK (0.46) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL7342215 0.89 SYK (0.46) ALDH1A1NPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119698421-A Process for preparing tetrodotoxin and analogues thereof 北京生命科学研究所 2025-03-25 — — CN claimed
US-20090234011-A1 N-ACETYLCYSTEINE AMIDE (NAC AMIDE) FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH OXIDATIVE STRESS DAVID PHARMACEUTICALS 2009-09-17 — — US claimed
EP-0807112-A1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1997-11-19 — — EP claimed
CN-119698421-A Process for preparing tetrodotoxin and analogues thereof 北京生命科学研究所 2025-03-25 — — CN disclosed
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARM INC (US) 2024-03-14 — — US disclosed
WO-2024032799-A1 Preparation Method of Tetrodotoxin and its Analog NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-02-15 — — WO disclosed
EP-3298005-B1 ANTI-CANCER COMPOUNDS UNIV CALIFORNIA (US) 2024-01-24 — — EP disclosed
US-11708352-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 — — US disclosed
US-20220267307-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-25 — — US disclosed
US-20220041605-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2022-02-10 — — US disclosed
US-11149025-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 — — US disclosed
US-5326863-A Antithrombin and antitrypsin activity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-05 — — US disclosed
US-5250677-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-05 — — US disclosed
WO-1993008211-A1 TRIPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1993-04-29 — — WO disclosed
EP-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 — — EP disclosed
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 — — US disclosed
EP-0503203-A1 Novel thrombin inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-16 — — EP disclosed
EP-0504064-A1 Novel thrombin inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-09-16 — — EP disclosed
US-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 — — US disclosed
US-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 — — 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 (6 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-11708352-B2 Anti-cancer compounds TP53, VHL, BAD ALDH1A1 793/4885NPC1 115/4885RAB9A 680/4885
US-20220267307-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD ALDH1A1 793/4885NPC1 115/4885RAB9A 680/4885
US-20220041605-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885NPC1 688/4885RAB9A 2231/4885
US-11149025-B2 Anti-cancer compounds TP53, VHL, BAD ALDH1A1 793/4885NPC1 115/4885RAB9A 680/4885
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885NPC1 688/4885RAB9A 2231/4885
US-20090234011-A1 N-ACETYLCYSTEINE AMIDE (NAC AMIDE) FOR THE TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH OXIDATIVE STRESS GCLC, NAT1, HHAT ALDH1A1 2239/4885NPC1 503/4885RAB9A 2329/4885

“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.