Sugi Predict

Sugi Predict / Compounds / SCHEMBL203326

SCHEMBL203326

SCHEMBL203326

COC(=O)NC(C(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.60
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 1/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ HDAC4 P56524 1/20 0.45

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
SCHEMBL193009 1.00 ATM (0.60) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL194384 1.00 ATM (0.60) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL28109187 0.87 ATM (0.53) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL28109189 0.87 ATM (0.53) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL853344 0.87 CYP2C19 (0.56) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL3265138 0.87 CYP2C19 (0.56) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL3265315 0.87 CYP2C19 (0.56) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL23346140 0.85 CYP2C9 (0.51) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL16938797 0.85 CYP2D6 (0.51) ATMCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL8750061 0.85 CYP2C9 (0.51) ATMCYP2D6CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117321059-A Tetracyclic compounds for the treatment of Zika virus infection 吉利德科学公司 2023-12-29 — — CN disclosed
WO-2023078410-A1 COMPOUND HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF 上海美志医药科技有限公司 2023-05-11 — — WO disclosed
CN-110981879-B Method for preparing NS5A inhibitor-wipatasvir 南通常佑药业科技有限公司 2021-03-05 — — CN disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 — — CN disclosed
WO-2020219808-A1 DICARBAMATE INHIBITORS OF NS5A FOR TREATMENT OF HEPATITIS C VIRUS INFECTIONS AND RELATED DISEASES BETA PHARMA, INC. (US) 2020-10-29 — — WO disclosed
WO-2020219808-A1 DICARBAMATE INHIBITORS OF NS5A FOR TREATMENT OF HEPATITIS C VIRUS INFECTIONS AND RELATED DISEASES BETA PHARMA, INC. (US) 2020-10-29 — — WO disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 — — US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 — — US disclosed
WO-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 — — WO disclosed
CN-101534829-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-16 — — CN disclosed
CN-101528232-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-09 — — CN disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 — — EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 — — US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 — — US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 — — US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 — — US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 — — EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 — — WO 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-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ATM 2987/4885CYP2D6 3061/4885CYP2C9 3743/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ATM 4301/4885CYP2D6 31/4885CYP2C9 23/4885

“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.