SCHEMBL3579999

SCHEMBL3579999

CCOC(=O)CC(CN)C(Cc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
P2RX7 Q99572 8/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
F10 P00742 1/20 0.37
PPARG P37231 1/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADAMTS4 O75173 1/20 0.36
LMNA P02545 1/20 0.36
STS P08842 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
SCHEMBL1825495 0.95 P2RX7 (0.44) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A
SCHEMBL1823020 0.91 P2RX7 (0.41) P2RX7TDP1
SCHEMBL1823680 0.90 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A
SCHEMBL1824990 0.90 PPARG (0.43) RAB9AF10PPARGF2STS
SCHEMBL1826809 0.89 P2RX7 (0.49) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A
SCHEMBL1826820 0.88 TSHR (0.39) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A
SCHEMBL1823805 0.88 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A
SCHEMBL1822356 0.87 ABCB1 (0.42) SMN1; SMN2ALDH1A1P2RX7TDP1ADAMTS4
SCHEMBL1828896 0.86 P2RX7 (0.45) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A
SCHEMBL1826391 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1P2RX7NPC1RAB9A

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 SMN1; SMN2 2274/4885ALDH1A1 1099/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SMN1; SMN2 3216/4885ALDH1A1 1440/4885P2RX7 2747/4885

“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.