Sugi Predict

Sugi Predict / Compounds / SCHEMBL23629618

SCHEMBL23629618

SCHEMBL23629618

O=C(O)C(NCCNC(C(=O)O)c1ccccc1O)c1ccccc1O.[Fe]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 3/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HPGD P15428 5/20 0.38
▸ AKR1B1 P15121 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRM7 Q14831 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ HMGB1 P09429 1/20 0.35
▸ CA4 P22748 1/20 0.35

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
SCHEMBL144838 0.98 POLB (0.45) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL29474425 0.98 POLB (0.45) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL19019825 0.90 ALDH1A1 (0.43) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL1503478 0.88 POLB (0.41) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL14026268 0.88 POLB (0.38) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL2728052 0.88 KMT2A (0.42) POLBTSHRALOX15HPGDCRHBP
SCHEMBL31744459 0.88 KMT2A (0.42) POLBTSHRALOX15HPGDCRHBP
SCHEMBL19050693 0.88 CA2 (0.40) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL7651033 0.88 POLB (0.38) POLBTSHRGABRA1GABRB2ALOX15
SCHEMBL19050692 0.88 TOP2B (0.38) POLBTSHRGABRA1GABRB2ALOX15

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-11939290-B2 Heterocycle-containing amino acid compound and salt thereof, complex, composition, fertilizer and plant growth regulator TOKUSHIMA UNIVERSITY (JP) 2024-03-26 — — US disclosed
US-20210253522-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND SALT THEREOF, COMPLEX, COMPOSITION, FERTILIZER AND PLANT GROWTH REGULATOR TOKUSHIMA UNIVERSITY (JP) 2021-08-19 — — US disclosed
EP-3848350-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND SALT THEREOF, COMPLEX, COMPOSITION, FERTILIZER AND PLANT GROWTH REGULATOR Tokushima University (JP) 2021-07-14 — — EP 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 (2 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-20210253522-A1 HETEROCYCLE-CONTAINING AMINO ACID COMPOUND AND SALT THEREOF, COMPLEX, COMPOSITION, FERTILIZER AND PLANT GROWTH REGULATOR NPR1, BCAT1, MYB POLB 4565/4885TSHR 1556/4885GABRA1 1939/4885
US-11939290-B2 Heterocycle-containing amino acid compound and salt thereof, complex, composition, fertilizer and plant growth regulator NPR1, BCAT1, MYB POLB 4565/4885TSHR 1556/4885GABRA1 1939/4885

“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.