SCHEMBL4123488

SCHEMBL4123488

COC(=O)c1cc(I)cc(Br)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
SOS1 Q07889 1/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
TPMT P51580 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5374001 0.84 THRB (0.45) HSD17B10SOS1ALDH1A1MAPTL3MBTL1
SCHEMBL30745030 0.82 HSD17B10 (0.51) HSD17B10KDM4EHPGDALDH1A1NPSR1
SCHEMBL4113785 0.82 HSD17B10 (0.71) HSD17B10KDM4EHPGDALDH1A1NPSR1
SCHEMBL5240714 0.82 HSD17B10 (0.51) HSD17B10KDM4EHPGDALDH1A1NPSR1
SCHEMBL1530644 0.82 KDM4E (0.45) HSD17B10KDM4EHPGDALDH1A1NPSR1
SCHEMBL16963450 0.81 SOS1 (0.44) HSD17B10SOS1KDM4EHPGDALDH1A1
SCHEMBL5390906 0.81 SOS1 (0.44) HSD17B10SOS1KDM4EPOLBMAPT
SCHEMBL30598868 0.81 SOS1 (0.44) HSD17B10SOS1KDM4EHPGDALDH1A1
SCHEMBL30810326 0.81 KDM4E (0.44) HSD17B10KDM4EHPGDALDH1A1NPSR1
SCHEMBL4871213 0.81 KDM4E (0.56) HSD17B10KDM4EHPGDALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158158-A1 PYRAZOLO QUINAZOLINE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-05-25 US disclosed
US-20230158158-A1 PYRAZOLO QUINAZOLINE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-05-25 US disclosed
US-20230158158-A1 PYRAZOLO QUINAZOLINE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-05-25 US disclosed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 HSD17B10 1799/4885SOS1 3823/4885KDM4E 3259/4885
US-20230158158-A1 PYRAZOLO QUINAZOLINE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 PLK1, BUB1, BUB1B HSD17B10 3291/4885SOS1 2259/4885KDM4E 1345/4885

“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.