SCHEMBL1825949

SCHEMBL1825949

CCC(Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
P2RX7 Q99572 11/20 0.54
ENPP1 P22413 2/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KDM4A O75164 1/20 0.48
ENPP2 Q13822 2/20 0.47
ENPP3 O14638 1/20 0.47

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
SCHEMBL1826227 0.89 CTSL (0.52) CTSLP2RX7ENPP1ALDH1A1LMNA
SCHEMBL1824792 0.87 P2RX7 (0.56) CTSLP2RX7ENPP1ALDH1A1LMNA
SCHEMBL1826839 0.85 ACACB (0.54) P2RX7ENPP1ALDH1A1MEN1KMT2A
SCHEMBL1825634 0.85 P2RX7 (0.63) P2RX7
SCHEMBL1825120 0.83 ALDH1A1 (0.55) P2RX7ENPP1ALDH1A1LMNAMEN1
SCHEMBL1824172 0.81 P2RX7 (0.46) P2RX7ENPP1ALDH1A1LMNA
SCHEMBL1822286 0.81 P2RX7 (0.52) P2RX7ENPP1KDM4EKDM4A
SCHEMBL1825424 0.79 ALDH1A1 (0.58) P2RX7ENPP1ALDH1A1LMNAMEN1
SCHEMBL1826230 0.78 P2RX7 (0.46) P2RX7ENPP1
SCHEMBL12029124 0.77 CTRB1 (0.71) CTSLALDH1A1HPGD

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 CTSL 4133/4885P2RX7 3606/4885ENPP1 3768/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CTSL 2260/4885P2RX7 2747/4885ENPP1 2849/4885

“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.