Sugi Predict

Sugi Predict / Compounds / SCHEMBL1823730

SCHEMBL1823730

SCHEMBL1823730

CC(C)OC(=O)CC(c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.38
▸ ADAMTS4 O75173 1/20 0.34
▸ ENPP3 O14638 2/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FABP5 Q01469 2/20 0.33
▸ FABP7 O15540 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL3570980 0.94 ENPP2 (0.37) CASP3ENPP3ENPP1ENPP2CYP2C9
SCHEMBL1823351 0.91 CASP3 (0.41) CASP3ADAMTS4ENPP3ENPP1KMT2A
SCHEMBL1826908 0.91 CASP3 (0.37) CASP3CA1CA2CYP1A2CYP3A4
SCHEMBL1823766 0.90 CASP3 (0.39) CASP3ADAMTS4CA1CA2CYP1A2
SCHEMBL1826990 0.90 CASP3 (0.38) CASP3CA1CA2CYP1A2CYP3A4
SCHEMBL1822282 0.89 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL3583108 0.88 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1827475 0.88 CASP3 (0.38) CASP3ADAMTS4ENPP3ENPP1CA1
SCHEMBL1824834 0.86 CASP3 (0.38) CASP3ADAMTS4ENPP3ENPP1CA1
SCHEMBL1828078 0.85 ALDH1A1 (0.37) CASP3ENPP3ENPP1ENPP2CYP2C9

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 CASP3 1512/4885ADAMTS4 4799/4885ENPP3 3529/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885ADAMTS4 4532/4885ENPP3 1984/4885

“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.