SCHEMBL2581345

SCHEMBL2581345

CC(=O)C(Cc1ccc(C(=O)C(C)(C)C)cc1)C(=O)Nc1cc(O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 9/20 0.41
ERAP2 Q6P179 7/20 0.41
ERAP1 Q9NZ08 2/20 0.37
PPARG P37231 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MDM2 Q00987 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
USP30 Q70CQ3 1/20 0.33
POLB P06746 1/20 0.33
MME P08473 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
SCHEMBL2570603 0.87 MEN1 (0.40) LNPEPERAP2ERAP1PPARGNR1H4
SCHEMBL3784633 0.86 GAA (0.42) LNPEPERAP2ERAP1ALDH1A1MDM2
SCHEMBL3785370 0.85 MDM2 (0.42) LNPEPERAP2PPARGALDH1A1MDM2
SCHEMBL2577121 0.84 LNPEP (0.39) LNPEPERAP2ERAP1TRPV1ALDH1A1
SCHEMBL534032 0.81 GPR142 (0.39) LNPEPERAP2
SCHEMBL3779263 0.81 ALDH1A1 (0.38) LNPEPERAP2ERAP1ALDH1A1ESR1
SCHEMBL3783304 0.80 KIF11 (0.41) LNPEPERAP2ALDH1A1POLB
SCHEMBL2573357 0.76 TNIK (0.41)
SCHEMBL3778904 0.75 MAPT (0.43) ALDH1A1POLB
SCHEMBL3784324 0.75 MEN1 (0.53) LNPEPERAP2TRPV1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 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 (2 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-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 LNPEP 4764/4885ERAP2 4244/4885ERAP1 4470/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 LNPEP 4806/4885ERAP2 4190/4885ERAP1 4485/4885

“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.