Sugi Predict

Sugi Predict / Compounds / SCHEMBL1283002

SCHEMBL1283002

SCHEMBL1283002

NC(=O)OCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.48
▸ PRSS1 P07477 3/20 0.48
▸ PRSS2 P07478 3/20 0.48
▸ PRSS3 P35030 3/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ CA12 O43570 4/20 0.46
▸ CA14 Q9ULX7 4/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ PKM P14618 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 2/20 0.43

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
SCHEMBL1282999 0.85 F2 (0.46) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL6754818 0.85 HSD11B1 (0.47) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL8411974 0.85 HSD11B1 (0.47) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL14816982 0.85 PKM (0.49) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL7966491 0.81 HSD11B1 (0.44) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL13839049 0.81 PKM (0.46) F2PRSS1PRSS2PRSS3HSD11B1
SCHEMBL20546593 0.81 ALDH1A1 (0.52) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29806314 0.81 ALDH1A1 (0.52) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28621564 0.81 GAA (0.47) F2PRSS1PRSS2PRSS3CA1
SCHEMBL28624762 0.81 KMT2A (0.49) CA1CA2CA9CA12TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192888-A1 Method of preparing peptide with high yield and high purity using2-(4-nitrophenylsulfonyl) ethoxycarbonyl-amino acids A & PEP INC. (KR) 2004-09-30 — — US claimed
WO-2002098903-A1 METHOD OF PREPARING PEPTIDE WITH HIGH YIELD AND HIGH PURITY USING 2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS A & PEP INC. (KR) 2002-12-12 — — WO claimed
EP-0765307-B1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM IND CO LTD (KR) 1999-10-20 — — EP claimed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 — — EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 — — US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 — — US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 — — WO disclosed
EP-4419513-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2024-08-28 — — EP disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 — — US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 — — US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 — — EP disclosed
US-20180312529-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2018-11-01 — — US disclosed
WO-2018197663-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2018-11-01 — — WO disclosed
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 — — US disclosed
WO-2010132029-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-18 — — WO disclosed
US-20040192888-A1 Method of preparing peptide with high yield and high purity using2-(4-nitrophenylsulfonyl) ethoxycarbonyl-amino acids A & PEP INC. (KR) 2004-09-30 — — US disclosed
US-20040192888-A1 Method of preparing peptide with high yield and high purity using2-(4-nitrophenylsulfonyl) ethoxycarbonyl-amino acids A & PEP INC. (KR) 2004-09-30 — — US disclosed
WO-2002098903-A1 METHOD OF PREPARING PEPTIDE WITH HIGH YIELD AND HIGH PURITY USING 2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS A & PEP INC. (KR) 2002-12-12 — — WO disclosed
WO-2002098903-A1 METHOD OF PREPARING PEPTIDE WITH HIGH YIELD AND HIGH PURITY USING 2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS A & PEP INC. (KR) 2002-12-12 — — WO disclosed
WO-2002098903-A1 METHOD OF PREPARING PEPTIDE WITH HIGH YIELD AND HIGH PURITY USING 2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS A & PEP INC. (KR) 2002-12-12 — — 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 (7 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 F2 3232/4885PRSS1 3197/4885PRSS2 3218/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB F2 2615/4885PRSS1 4479/4885PRSS2 4338/4885
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 F2 3561/4885PRSS1 2930/4885PRSS2 3093/4885
US-20040192888-A1 Method of preparing peptide with high yield and high purity using2-(4-nitrophenylsulfonyl) ethoxycarbonyl-amino acids NPEPPS, DNPEP, ANPEP F2 4297/4885PRSS1 422/4885PRSS2 58/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL F2 2979/4885PRSS1 4690/4885PRSS2 4581/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 F2 3232/4885PRSS1 3197/4885PRSS2 3218/4885
US-20180312529-A1 Antitumoral Compounds TP53, RB1, XPOT F2 2086/4885PRSS1 4052/4885PRSS2 4230/4885

“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.