SCHEMBL2867975

SCHEMBL2867975

C#Cc1cnc2ccc(OCC(S)C(=O)O)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
PARP1 P09874 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
P2RY12 Q9H244 3/20 0.33
PDE2A O00408 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ABL1 P00519 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MET P08581 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL2872336 0.78 PDE3B (0.42) ALDH1A1HPGDF2GLAPARP1
SCHEMBL2867979 0.77 ALDH1A1 (0.38) ALDH1A1HPGDF2GLAPARP1
SCHEMBL2872338 0.77 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAPARP1
SCHEMBL534549 0.77 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAPARP1
SCHEMBL534548 0.76 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAPARP1
SCHEMBL2867984 0.74 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAPARP1
SCHEMBL17203163 0.73 PARP1 (0.40) ALDH1A1HPGDF2GLAPARP1
SCHEMBL12817605 0.72 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAPARP1
SCHEMBL3739359 0.72 ALDH1A1 (0.36) ALDH1A1HPGDF2GLAPARP1
SCHEMBL3727023 0.71 ALDH1A1 (0.38) ALDH1A1HPGDF2GLAPARP1

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
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885HPGD 3732/4885F2 4237/4885

“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.