SCHEMBL1825895

SCHEMBL1825895

CCC(NC(=O)OC(C)(C)C)c1ccccc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 5/20 0.41
MAPK1 P28482 2/20 0.41
P2RX7 Q99572 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HTT P42858 4/20 0.39
PKM P14618 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
JAK2 O60674 2/20 0.39
CA2 P00918 2/20 0.39
ALOX15 P16050 2/20 0.39
XBP1 P17861 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1824500 0.89 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMAPK1P2RX7
SCHEMBL6987499 0.86 LMNA (0.44) ALDH1A1TSHRLMNAMAPK1P2RX7
SCHEMBL1826507 0.86 LMNA (0.44) ALDH1A1TSHRLMNAMAPK1P2RX7
SCHEMBL1826981 0.85 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL1826037 0.84 LMNA (0.42) ALDH1A1TSHRLMNAMAPK1P2RX7
SCHEMBL1823466 0.83 P2RX7 (0.49) LMNAP2RX7CA2MAPT
SCHEMBL1825109 0.83 KCNA5 (0.46) ALDH1A1LMNAMAPK1P2RX7KMT2A
SCHEMBL1826280 0.81 LMNA (0.41) ALDH1A1TSHRLMNAMAPK1P2RX7
SCHEMBL1826175 0.81 P2RX7 (0.45) ALDH1A1TSHRLMNAP2RX7KMT2A
SCHEMBL1823038 0.79 CASP3 (0.46) KMT2AHPGDTP53

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 ALDH1A1 1099/4885TSHR 1200/4885LMNA 1802/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885TSHR 2860/4885LMNA 1130/4885

“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.