SCHEMBL753386

SCHEMBL753386

COC(=O)c1cc(F)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 2/20 0.51
GFER P55789 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
XDH P47989 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FUT7 Q11130 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TTR P02766 6/20 0.50
ERN1 O75460 2/20 0.50
VCAM1 P19320 1/20 0.50
MAPT P10636 2/20 0.49
ESR1 P03372 1/20 0.48

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
SCHEMBL31750379 1.00 KDM4E (0.51) KDM4ELMNANFKB1GFERTDP1
SCHEMBL5924211 0.89 ESR1 (0.57) KDM4ELMNANFKB1GFERTDP1
SCHEMBL643856 0.87 KDM4E (0.65) KDM4ELMNANFKB1GFERTDP1
SCHEMBL31440703 0.87 KDM4E (0.65) KDM4ELMNANFKB1GFERTDP1
Hydrochloric Acid SCHEMBL9064842 0.87 ESR1 (0.56) KDM4ELMNANFKB1GFERTDP1
SCHEMBL30158975 0.86 VCAM1 (0.51) KDM4ELMNANFKB1GFERTDP1
SCHEMBL27212775 0.86 VCAM1 (0.51) KDM4ELMNANFKB1GFERTDP1
SCHEMBL2671510 0.84 VCAM1 (0.50) KDM4ELMNANFKB1GFERTDP1
SCHEMBL3780586 0.84 ESR1 (0.58) KDM4ELMNATDP1POLBGAA
SCHEMBL19071923 0.83 VCAM1 (0.55) KDM4ELMNANFKB1GFERTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735048-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF Beone Medicines I GmbH (CH) 2026-05-06 EP disclosed
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEONE MEDICINES I GMBH (CH) 2026-04-30 US disclosed
WO-2026087635-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
US-20250163038-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. 2025-05-22 US disclosed
WO-2025002368-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEIGENE, LTD. (GB) 2025-01-02 WO disclosed
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 EP disclosed
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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 (8 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885LMNA 558/4885NFKB1 1902/4885
US-20250163038-A1 CBL-B MODULATORS AND USES THEREOF CBLB, CBL, CBLC KDM4E 623/4885LMNA 1642/4885NFKB1 249/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885LMNA 558/4885NFKB1 1902/4885
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 KDM4E 2948/4885LMNA 3212/4885NFKB1 2568/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 KDM4E 2948/4885LMNA 3212/4885NFKB1 2568/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KDM4E 192/4885LMNA 558/4885NFKB1 1902/4885
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF GUSB, PSMA6, CD44 KDM4E 3423/4885LMNA 1881/4885NFKB1 2413/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 KDM4E 2948/4885LMNA 3212/4885NFKB1 2568/4885

“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.