SCHEMBL3553197

SCHEMBL3553197

COc1ccc2c(OS(=O)(=O)C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 8/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
EPHX2 P34913 1/20 0.50
LCK P06239 1/20 0.50
CYP2D6 P10635 2/20 0.49

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
SCHEMBL30231652 1.00 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL6188705 0.90 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10CA2
Hydrogen Sulfide SCHEMBL6879015 0.90 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL759113 0.84 CA2 (0.43) KDM4EALDH1A1HPGDCA2CA1
SCHEMBL31710846 0.84 CA2 (0.43) KDM4EALDH1A1HPGDCA2CA1
SCHEMBL2987667 0.83 AR (0.40) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL764738 0.82 CA2 (0.39) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL757973 0.82 AR (0.41) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL3544562 0.82 AR (0.41) CA2CA1CA5ACA9AR
SCHEMBL2083806 0.82 PIN1 (0.48) KDM4EALDH1A1HPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368106-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2024-11-07 US disclosed
WO-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 WO disclosed
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 WO disclosed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233826-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 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 (4 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-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC KDM4E 4034/4885ALDH1A1 3914/4885HPGD 1938/4885
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG KDM4E 2304/4885ALDH1A1 1332/4885HPGD 552/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC KDM4E 4034/4885ALDH1A1 3914/4885HPGD 1938/4885
US-20240368106-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT POLRMT, ACAT1, TFAM KDM4E 2584/4885ALDH1A1 909/4885HPGD 882/4885

“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.