SCHEMBL3783304

SCHEMBL3783304

CCS(=O)(=O)c1ccc(CC(C(C)=O)C(=O)Nc2cc(O)ccc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RORC P51449 11/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ERAP2 Q6P179 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
CASR P41180 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3779263 0.90 ALDH1A1 (0.38) ALDH1A1LMNATSHRCA1CA2
SCHEMBL3784633 0.86 GAA (0.42) ALDH1A1LMNAERAP2LNPEPGAA
SCHEMBL3785370 0.85 MDM2 (0.42) ALDH1A1ERAP2LNPEPL3MBTL1
SCHEMBL2577121 0.84 LNPEP (0.39) ALDH1A1LMNAERAP2LNPEPGAA
SCHEMBL534032 0.81 GPR142 (0.39) ERAP2LNPEP
SCHEMBL2581345 0.80 LNPEP (0.41) ALDH1A1ERAP2LNPEPPOLB
SCHEMBL3787305 0.77 PDK1 (0.40) ALDH1A1LMNATSHRCA1CA2
SCHEMBL3777270 0.77 ALDH1A1 (0.47) ALDH1A1LMNAGAAPOLBL3MBTL1
SCHEMBL2573357 0.76 TNIK (0.41)
SCHEMBL3778904 0.75 MAPT (0.43) ALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 KIF11 3348/4885ALDH1A1 4201/4885LMNA 3732/4885

“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.