SCHEMBL1827684

SCHEMBL1827684

CCC(C)(OOS(=O)(=O)c1ccccc1)c1ccccc1.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TACR1 P25103 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 6/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSIP1 O75475 1/20 0.33
PKM P14618 1/20 0.33
RORC P51449 2/20 0.33
AGTR1 P30556 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
SCHEMBL1826445 0.90 PSIP1 (0.40) CYP2C19PSIP1RORC
Methoxymethane SCHEMBL1826559 0.88 PSIP1 (0.38) CYP2C19PSIP1RORC
SCHEMBL1823082 0.80 CTSS (0.41) MAPTCA1CA2
SCHEMBL6900972 0.75 PSIP1 (0.42) CYP2C19PSIP1RORC
SCHEMBL1827681 0.73 TDP1 (0.46) KDM4EMEN1MAPTKMT2AAR
SCHEMBL1826050 0.71 TSHR (0.40) TSHRTACR1ARCA1CA2
SCHEMBL11208770 0.71 MAPK1 (0.52) TSHRMAPTKMT2ACYP2C19
SCHEMBL27853835 0.69 CA1 (0.48) TSHRKDM4EMAPTKMT2AAR
SCHEMBL1825974 0.69 TSHR (0.43) TSHRTACR1ARCA1CA2
SCHEMBL1823723 0.68 CA1 (0.41) MEN1KMT2ACA1CA2CA9

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 TSHR 1200/4885TACR1 1743/4885KDM4E 2554/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885TACR1 2452/4885KDM4E 2704/4885

“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.