SCHEMBL3764071

SCHEMBL3764071

O=S(=O)(O)c1c(Cl)ccc2c1ccc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.48
CYP2A6 P11509 3/20 0.46
PAX8 Q06710 1/20 0.46
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.38
CTRB1 P17538 1/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3707634 1.00 HPRT1 (0.48) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3800118 0.98 HPRT1 (0.47) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3700600 0.98 HPRT1 (0.47) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3808009 0.98 HPRT1 (0.47) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3695175 0.98 HPRT1 (0.47) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3703517 0.98 HPRT1 (0.47) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3804090 0.98 HPRT1 (0.47) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL2569228 0.91 CYP2A6 (0.50) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3702128 0.89 CYP2A6 (0.48) HPRT1CYP2A6PAX8MAPTLMNA
SCHEMBL3713255 0.89 CYP2A6 (0.48) HPRT1CYP2A6PAX8MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (1 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 HPRT1 1619/4885CYP2A6 47/4885PAX8 4776/4885

“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.