SCHEMBL3702128

SCHEMBL3702128

O=S(=O)(O)c1c(Cl)ccc2ccccc12.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
CYP2D6 P10635 1/20 0.45
CYP1A2 P05177 2/20 0.42
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTRB1 P17538 1/20 0.39
ERN1 O75460 1/20 0.38
MPL P40238 1/20 0.38
CTRC Q99895 1/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
HPRT1 P00492 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL2569228 0.98 CYP2A6 (0.50) CYP2A6CYP2D6CYP1A2PAX8TDP1
Hydrochloric Acid SCHEMBL28079045 0.96 CYP2A6 (0.48) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3696175 0.96 CYP2A6 (0.48) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3713255 0.96 CYP2A6 (0.48) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3808009 0.91 HPRT1 (0.47) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3703517 0.91 HPRT1 (0.47) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3707634 0.89 HPRT1 (0.48) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3764071 0.89 HPRT1 (0.48) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3695175 0.88 HPRT1 (0.47) CYP2A6CYP2D6CYP1A2PAX8TDP1
SCHEMBL3800118 0.88 HPRT1 (0.47) CYP2A6CYP2D6CYP1A2PAX8TDP1

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 CYP2A6 47/4885CYP2D6 142/4885CYP1A2 10/4885

“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.