SCHEMBL1827652

SCHEMBL1827652

CC(C)OC(=O)CC(c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ADAMTS4 O75173 1/20 0.39
ENPP3 O14638 5/20 0.39
ENPP1 P22413 5/20 0.39
ENPP2 Q13822 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
P2RX7 Q99572 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
LTA4H P09960 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
SCHEMBL1823556 0.94 P2RX7 (0.44) ENPP3ENPP1ENPP2P2RX7ALDH1A1
SCHEMBL1826308 0.92 TSHR (0.40) TSHRADAMTS4ENPP3ENPP1ENPP2
SCHEMBL1827077 0.89 TSHR (0.42) TSHRMAPTPLA2G1BATG4BLTA4H
SCHEMBL1823396 0.89 LTA4H (0.42) ADAMTS4ENPP3ENPP1ENPP2TDP1
SCHEMBL1823045 0.89 BCHE (0.39) TSHRALDH1A1SMN1; SMN2
SCHEMBL1826391 0.88 SMN1; SMN2 (0.41) ADAMTS4TDP1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL1823918 0.87 ABCB1 (0.44) ADAMTS4TDP1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL1826378 0.86 SLC15A1 (0.47) TDP1P2RX7LTA4H
SCHEMBL1823876 0.86 P2RX7 (0.43) ENPP3ENPP1ENPP2P2RX7ALDH1A1
SCHEMBL1826820 0.86 TSHR (0.39) TSHRADAMTS4ENPP3ENPP1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 TSHR 1200/4885ADAMTS4 4799/4885ENPP3 3529/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885ADAMTS4 4532/4885ENPP3 1984/4885

“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.