Sugi Predict

Sugi Predict / Compounds / SCHEMBL21623581

SCHEMBL21623581

SCHEMBL21623581

Cc1ccc2c(c1[N+](=O)[O-])C(=O)CC(O)(C(F)(F)F)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ RAD52 P43351 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.44
▸ TSHR P16473 6/20 0.37
▸ HTT P42858 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL13672318 0.79 NPC1 (0.44) KDM4EALDH1A1TSHRHTTHPGD
SCHEMBL4458222 0.68 RAB9A (0.51) KDM4EALDH1A1TSHRHTTHPGD
SCHEMBL4467507 0.65 NPC1 (0.39) KDM4EALDH1A1TSHRHTTHPGD
SCHEMBL8387330 0.61 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL4427648 0.61 ALDH1A1 (0.71) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL21623587 0.60 LMNA (0.45) KDM4EALDH1A1TSHRHTTHPGD
SCHEMBL10785547 0.59 TSHR (0.83) ALDH1A1TSHRHPGDHSD17B10MAPK1
SCHEMBL5239589 0.58 TXNRD1 (0.68) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL19585641 0.58 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPTCYP3A4
SCHEMBL8092353 0.58 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152012-B2 BRAG2 inhibitors and applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-11-26 — — US disclosed
US-20210284620-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF INSTITUT CURIE (10% PART INTEREST) (FR) 2021-09-16 — — US disclosed
US-20210284620-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF INSTITUT CURIE (10% PART INTEREST) (FR) 2021-09-16 — — US disclosed
EP-3823612-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF Centre National de la Recherche Scientifique (FR) 2021-05-26 — — EP disclosed
WO-2020016239-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-01-23 — — WO disclosed
EP-3597187-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-01-22 — — 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-20210284620-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF ING2, BRAP, BRWD1 KDM4E 2082/4885RAD52 293/4885ATM 1828/4885
US-12152012-B2 BRAG2 inhibitors and applications thereof ING2, BRAP, BRWD1 KDM4E 2082/4885RAD52 293/4885ATM 1828/4885

“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.