SCHEMBL1824879

SCHEMBL1824879

O=C(OCc1ccccc1)C(CNCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
ACHE P22303 1/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
P2RX7 Q99572 4/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ENPP3 O14638 3/20 0.38
ENPP1 P22413 3/20 0.38
BACE1 P56817 2/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL1827140 0.93 P2RX7 (0.48) P2RX7ALDH1A1ENPP1ENPP2
SCHEMBL1826509 0.90 SMN1; SMN2 (0.45) BCHETDP1CA2ALDH1A1SMN1; SMN2
SCHEMBL1823827 0.90 ALDH1A1 (0.42) BCHETDP1CA2CA1ACHE
SCHEMBL1825133 0.88 BCHE (0.42) BCHECCR6PAX8ALDH1A1SMN1; SMN2
SCHEMBL1827046 0.88 CA2 (0.45) BCHECA2CA1ACHECCR6
SCHEMBL1824063 0.87 ADAMTS4 (0.42) BCHETDP1ALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1824618 0.87 CA1 (0.44) CA2CA1ACHEP2RX7CA12
SCHEMBL1824380 0.86 ATM (0.46) TDP1CA1P2RX7CA12ALDH1A1
SCHEMBL1824569 0.86 CA1 (0.41) TDP1CA2CA1ACHEP2RX7
SCHEMBL1823185 0.85 ENPP1 (0.43) P2RX7CA12CA9ALDH1A1SMN1; SMN2

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 BCHE 1041/4885TDP1 4543/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 BCHE 99/4885TDP1 4702/4885CA2 349/4885

“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.