SCHEMBL850438

SCHEMBL850438

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.77
CTSL P07711 2/20 0.76
CTSS P25774 1/20 0.76
CTSK P43235 1/20 0.76
SCN9A Q15858 1/20 0.70
TACR1 P25103 2/20 0.70
MAPT P10636 2/20 0.68
TP53 P04637 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.66
ALOX15 P16050 1/20 0.66
SSTR3 P32745 1/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
ITGB2 P05107 1/20 0.62
ICAM1 P05362 1/20 0.62
ITGAL P20701 1/20 0.62
ECE1 P42892 2/20 0.60

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
SCHEMBL1003555 1.00 ACE (0.77) ACECTSLCTSSCTSKSCN9A
SCHEMBL29367687 1.00 ACE (0.77) ACECTSLCTSSCTSKSCN9A
SCHEMBL1486167 1.00 ACE (0.77) ACECTSLCTSSCTSKSCN9A
SCHEMBL30976323 1.00 ACE (0.77) ACECTSLCTSSCTSKSCN9A
Hydrochloric Acid SCHEMBL31472643 0.99 ACE (0.75) ACECTSLCTSSCTSKSCN9A
SCHEMBL30699849 0.99 ACE (0.75) ACECTSLCTSSCTSKSCN9A
Fluoride SCHEMBL7445962 0.99 ACE (0.75) ACECTSLCTSSCTSKSCN9A
Fluoride SCHEMBL7445954 0.99 ACE (0.75) ACECTSLCTSSCTSKSCN9A
SCHEMBL11403615 0.96 ACE (0.84) ACECTSLCTSSCTSKSCN9A
SCHEMBL27871524 0.96 CTSL (0.76) ACECTSLCTSSCTSKSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724780-B Acylthiourea compound based on hydrophobic tag, preparation method thereof and application of acylthiourea compound in resisting influenza A virus 武汉大学 2024-04-26 CN claimed
CN-115724780-A Acyl thiourea compound based on hydrophobic label, preparation method thereof and application of acyl thiourea compound in resisting influenza A virus 武汉大学 2023-03-03 CN claimed
CN-112538040-A Preparation method of tryptophan oxide 艾希尔(深圳)药物研发有限公司 2021-03-23 CN claimed
CN-106967151-B Multi-site combination modified endomorphin analogue and synthesis and application thereof 兰州大学 2020-08-11 CN claimed
US-10000520-B2 B-vitamin and amino acid conjugates ofnicotinoyl ribosides and reduced nicotinoyl ribosides, derivatives thereof, and methods of preparation thereof ChromaDex Inc. (US) 2018-06-19 US claimed
US-20170267709-A1 B-VITAMIN AND AMINO ACID CONJUGATES OFNICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF ChromaDex Inc. (US) 2017-09-21 US claimed
CN-104877005-A Non-natural amino acid modified endomorphin-1 analogue as well as synthesis method and application thereof UNIV LANZHOU 2015-09-02 CN claimed
CN-103214552-B Synthesis and application of multi-site modified endomorphin-1 analogue UNIV LANZHOU 2015-01-21 CN claimed
CN-103214552-A Synthesis and application of multi-site modified endomorphin-1 analogue UNIV LANGZHOU 2013-07-24 CN claimed
CN-102558297-B Endomorphin-1 analogue modified by alpha-alkenyl-beta-amino acid and composition and application thereof UNIV LANGZHOU 2013-07-17 CN claimed
CN-102558297-A Endomorphin-1 analogue modified by alpha-alkenyl-beta-amino acid and composition and application thereof UNIV LANGZHOU 2012-07-11 CN claimed
EP-3894390-B1 SYNTHESIS OF (S)-6-HYDROXYTRYPTOPHAN AND DERIVATIVES THEREOF HEIDELBERG PHARMA RES GMBH (DE) 2026-05-20 EP disclosed
US-12625431-B2 EUV resist underlayer film-forming composition NISSAN CHEMICAL CORPORATION (JP) 2026-05-12 US disclosed
US-12378196-B2 Synthesis of (S)-6-hydroxytryptophan and derivatives thereof HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-08-05 US disclosed
US-20250179018-A1 SYNTHESIS OF (S)-6-HYDROXYTRYPTOPHAN AND DERIVATIVES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-06-05 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN disclosed
US-4724237-A GASTROINTESTINAL, CENTRAL NERVOUS, AND APPETITE DISORDERS MERCK & CO., INC. (US) 1988-02-09 US disclosed
EP-0166356-A2 2-Substituted-aminomethyl-1,4-benzodiazepines, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP disclosed
US-4554272-A CHOLECYSTOKININ INHIBITORS MERCK & CO., INC. (US) 1985-11-19 US disclosed
US-3974135-A Synthetic decapeptide having the activity of the luteinizing hormone releasing hormone and method for producing the same FOLKERS KARL 1976-08-10 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 (5 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-10000520-B2 B-vitamin and amino acid conjugates ofnicotinoyl ribosides and reduced nicotinoyl ribosides, derivatives thereof, and methods of preparation thereof NAMPT, NAPRT, NNMT ACE 4681/4885CTSL 4053/4885CTSS 4478/4885
US-12625431-B2 EUV resist underlayer film-forming composition EEF1A1, ARF1, EMG1 ACE 4356/4885CTSL 4383/4885CTSS 4528/4885
US-20250179018-A1 SYNTHESIS OF (S)-6-HYDROXYTRYPTOPHAN AND DERIVATIVES THEREOF AANAT, HNMT, HTR6 ACE 1490/4885CTSL 776/4885CTSS 846/4885
US-12378196-B2 Synthesis of (S)-6-hydroxytryptophan and derivatives thereof AANAT, HNMT, HTR6 ACE 1271/4885CTSL 878/4885CTSS 832/4885
US-20170267709-A1 B-VITAMIN AND AMINO ACID CONJUGATES OFNICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF NAMPT, NAPRT, NNMT ACE 4681/4885CTSL 4053/4885CTSS 4478/4885

“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.