SCHEMBL1822692

SCHEMBL1822692

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
VCP P55072 1/20 0.37
TACR1 P25103 2/20 0.36
MME P08473 1/20 0.36
AGTR1 P30556 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
NPC1 O15118 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL1827608 0.89 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL1825974 0.86 TSHR (0.43) TSHRVCPTACR1MMEAGTR1
Methoxymethane SCHEMBL1825485 0.86 MAPT (0.36) TSHRSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL1826050 0.83 TSHR (0.40) TSHRTACR1AGTR1SMN1; SMN2HTT
SCHEMBL1823250 0.77 TSHR (0.40) TSHRTACR1AGTR1SMN1; SMN2HTT
SCHEMBL1825460 0.73 CCR5 (0.38) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL1822691 0.72 TDP1 (0.47) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL29109741 0.71 TSHR (0.48) TSHRSMN1; SMN2HTTCA1CA2
SCHEMBL30930716 0.70 HTR6 (0.41) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL27853835 0.70 CA1 (0.48) TSHRCA1CA2CA9ALDH1A1

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 1200/4885VCP 4529/4885TACR1 1743/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885VCP 2270/4885TACR1 2452/4885

“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.