SCHEMBL2830829

SCHEMBL2830829

CCOC(=O)C(C)c1ccccc1OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIN1 Q13526 1/20 0.39
NLRP3 Q96P20 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP8 P22894 1/20 0.36

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
SCHEMBL2835291 0.85 CA1 (0.42) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL2831635 0.85 SMN1; SMN2 (0.51) TSHRTDP1LMNASMN1; SMN2PIN1
SCHEMBL2838892 0.85 CA1 (0.49) TDP1LMNAKMT2AALDH1A1NPC1
SCHEMBL16673225 0.83 TDP1 (0.51) TSHRTDP1LMNASMN1; SMN2PIN1
SCHEMBL11263712 0.83 KMT2A (0.49) TSHRTDP1LMNASMN1; SMN2PIN1
SCHEMBL3583111 0.82 LMNA (0.48) TDP1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL2839036 0.81 MMP2 (0.47) KMT2AMMP8
SCHEMBL11101537 0.81 MMP2 (0.47) KMT2AMMP8
SCHEMBL1826004 0.81 ITGA4 (0.35) MMP8
SCHEMBL18050401 0.79 TSHR (0.45) TSHRTDP1LMNASMN1; SMN2PIN1

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 7 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
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 1200/4885TDP1 4543/4885LMNA 1802/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885TDP1 4702/4885LMNA 1130/4885

“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.