SCHEMBL16207447

SCHEMBL16207447

O=S(=O)(O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA7 P43166 1/20 0.62
CA14 Q9ULX7 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL898966 1.00 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL30323518 0.97 CA12 (0.59) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL30323660 0.97 CA12 (0.59) CA12CA7CA14SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL9002579 0.97 CA12 (0.59) CA12CA7CA14SMN1; SMN2TSHR
Ethane SCHEMBL28543734 0.87 CA12 (0.48) CA12CA7CA14SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27781421 0.82 CA12 (0.48) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL15935734 0.79 CA12 (0.56) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL973439 0.78 POLB (0.40) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL1746338 0.78
SCHEMBL4724826 0.77 CA12 (1.00) CA12CA7CA14SMN1; SMN2TSHR

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-2799437-B1 QUINOLINE AND CINNOLINE DERIVATIVES AND USE THEREOF UNIV SHENYANG PHARMACEUTICAL (CN) 2016-09-14 EP claimed
US-9382232-B2 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-07-05 US claimed
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2014-12-11 US claimed
EP-2799437-A1 QUINOLINE AND CINNOLINE COMPOUNDS AND USE THEREOF Shenyang Pharmaceutical University (CN) 2014-11-05 EP claimed

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-20140364431-A1 Quinoline and cinnoline derivatives and their applications MET, CHEK1, KIT CA12 967/4885CA7 8/4885CA14 705/4885

“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.