SCHEMBL1824313

SCHEMBL1824313

CCC(Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.46
PPARG P37231 1/20 0.45
P2RX7 Q99572 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
EGFR P00533 2/20 0.41
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM4A O75164 1/20 0.40
ENPP3 O14638 2/20 0.39
ENPP2 Q13822 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL1822529 0.86 PPARG (0.47) ENPP1PPARGP2RX7MEN1KMT2A
SCHEMBL1826211 0.85 ALDH1A1 (0.42) PPARGP2RX7MEN1KMT2AALDH1A1
SCHEMBL14878587 0.80 ENPP1 (0.49) ENPP1PPARGMEN1KMT2AALDH1A1
SCHEMBL15322533 0.80 SLC6A4 (0.46)
SCHEMBL1824429 0.78 ALDH1A1 (0.50) ENPP1PPARGMEN1KMT2AALDH1A1
SCHEMBL15468472 0.78 ENPP1 (0.55) ENPP1PPARGMEN1KMT2AALDH1A1
SCHEMBL8499355 0.78 ENPP1 (0.55) ENPP1PPARGMEN1KMT2AALDH1A1
SCHEMBL3841654 0.77 ENPP1 (0.53) ENPP1PPARGMEN1KMT2AALDH1A1
SCHEMBL9852204 0.76 MEN1 (0.60) ENPP1PPARGMEN1KMT2AALDH1A1
SCHEMBL4126086 0.76 MEN1 (0.60) ENPP1PPARGMEN1KMT2AALDH1A1

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 ENPP1 3768/4885PPARG 3864/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885PPARG 2131/4885P2RX7 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.