SCHEMBL3583098

SCHEMBL3583098

CCOC(=O)[C@H](Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.44
BACE1 P56817 1/20 0.43
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSL P07711 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
GPR17 Q13304 1/20 0.41
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL1824339 0.95 FAAH (0.44) P2RX7BACE1L3MBTL1
SCHEMBL1828155 0.93 P2RX7 (0.49) P2RX7KMT2A
SCHEMBL1824529 0.93 ATM (0.49) P2RX7KMT2AGAAMAPTG6PD
SCHEMBL1827933 0.91 KMT2A (0.45) P2RX7KMT2AGAAMAPTG6PD
SCHEMBL1823812 0.90 PLAU (0.43) P2RX7KMT2AGAAMAPTG6PD
SCHEMBL1821507 0.90 P2RX7 (0.54) P2RX7BACE1KMT2ACTSLATM
SCHEMBL1821509 0.90 P2RX7 (0.54) P2RX7BACE1KMT2ACTSLATM
SCHEMBL1825070 0.89 P2RX7 (0.50) P2RX7KMT2AGAAMAPTG6PD
SCHEMBL1826562 0.86 CA12 (0.49) KMT2AATML3MBTL1
SCHEMBL1822069 0.86 FAAH (0.44) BACE1KMT2AL3MBTL1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 P2RX7 3606/4885BACE1 985/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885BACE1 200/4885KMT2A 1084/4885

“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.