Sugi Predict

Sugi Predict / Compounds / SCHEMBL20975441

SCHEMBL20975441

SCHEMBL20975441

CC(C)(C)N(C(=O)O)N(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ CRHBP P24387 3/20 0.45
▸ CRHR2 Q13324 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CES1 P23141 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL14400215 0.74 ALDH1A1 (0.50) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL1532324 0.73 ALDH1A1 (0.58) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL29182467 0.72 ALDH1A1 (0.57) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
Hydrochloric Acid SCHEMBL11844609 0.71 ALDH1A1 (0.56) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL16730045 0.71 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL16730043 0.71 MAPT (0.53) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL19332540 0.70 CA1 (0.58) ALDH1A1KMT2AATMTDP1MAPK1
SCHEMBL11072781 0.69 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL28171537 0.69 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
Acetic Acid SCHEMBL27877969 0.69 MAPK1 (0.71) ALDH1A1MEN1KMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000947-A1 POLYPEPTIDE MODIFICATION AND CONJUGATION METHODS Encodia, Inc. (US) 2024-01-04 — — US disclosed
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 — — US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 — — 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 (3 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-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 ALDH1A1 339/4885CRHBP 4596/4885CRHR2 4780/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 ALDH1A1 339/4885CRHBP 4596/4885CRHR2 4780/4885
US-20240000947-A1 POLYPEPTIDE MODIFICATION AND CONJUGATION METHODS PHAX, PTMS, DNPEP ALDH1A1 3835/4885CRHBP 264/4885CRHR2 2498/4885

“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.