SCHEMBL1822336

SCHEMBL1822336

Cc1ccc(S(=O)(=O)Oc2ccc(C(N)(CC(=O)OC(C)C)C(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.35
ENPP1 P22413 5/20 0.35
ENPP3 O14638 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
P2RX7 Q99572 5/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1826011 0.94 CASP3 (0.36) ENPP1ENPP3ALDH1A1CYP2C9CYP2C19
SCHEMBL1827497 0.91 ALDH1A1 (0.38) ENPP2ENPP1ENPP3ALDH1A1LMNA
SCHEMBL1823035 0.91 ALDH1A1 (0.38) ENPP2ENPP1ENPP3ALDH1A1LMNA
SCHEMBL1827573 0.89 P2RX7 (0.38) ENPP2ENPP1ENPP3ALDH1A1LMNA
SCHEMBL3577977 0.88 CYP1A2 (0.37) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL1824523 0.88 LMNA (0.41) ENPP1ALDH1A1LMNAPPARGP2RX7
SCHEMBL1826915 0.85 HSD11B1 (0.38) ENPP1ENPP3ALDH1A1LMNACYP1A2
SCHEMBL1827178 0.84 CASP3 (0.38) ENPP2ENPP1ENPP3ALDH1A1MEN1
SCHEMBL1822068 0.84 P2RX7 (0.45) ENPP2ENPP1ALDH1A1LMNAPPARG
SCHEMBL1826076 0.83 CASP3 (0.35) ALDH1A1P2RX7MEN1KMT2A

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 ENPP2 3832/4885ENPP1 3768/4885ENPP3 3529/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP2 3966/4885ENPP1 2849/4885ENPP3 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.