Sugi Predict

Sugi Predict / Compounds / SCHEMBL23628904

SCHEMBL23628904

SCHEMBL23628904

COC(=O)c1ccc([N+](=O)[O-])c(OCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.50
▸ PELP1 Q8IZL8 1/20 0.50
▸ VCAM1 P19320 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ PKM P14618 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL1497352 0.97 AR (0.49) ARPELP1VCAM1ALDH1A1HPGD
SCHEMBL4832898 0.85 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL30158929 0.85 CA12 (0.41) VCAM1ALDH1A1HPGDNPSR1CA12
SCHEMBL23971082 0.85 CA12 (0.41) VCAM1ALDH1A1HPGDNPSR1CA12
SCHEMBL4837420 0.84 ALDH1A1 (0.50) ALDH1A1HPGDCA12CA1CA2
SCHEMBL31500911 0.84 NOTUM (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL17992563 0.83 CA12 (0.49) ALDH1A1HPGDCA12CA1CA2
SCHEMBL15595608 0.83 MGLL (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL31758908 0.83 MAPT (0.48) ALDH1A1HPGDCA12CA1CA2
SCHEMBL9670532 0.82 AR (0.47) ARPELP1VCAM1ALDH1A1HPGD

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-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 — — US disclosed
US-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA UNIVERZA V LJUBLJANI (SI) 2021-10-21 — — US disclosed
EP-3847172-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA Univerza v Ljubljani (SI) 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-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOP1, TOP2A, TOP2B AR 4460/4885PELP1 2828/4885VCAM1 2591/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B AR 4230/4885PELP1 2771/4885VCAM1 2750/4885

“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.