SCHEMBL2576380

SCHEMBL2576380

CC(=O)C(Cc1ccc(Br)cc1)C(=O)SC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.43
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.38
EPHX1 P07099 2/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LDHA P00338 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL3779844 0.85 TRPA1 (0.39) MMECTSSCTSKLDHA
SCHEMBL3775578 0.85 CYP3A4 (0.40) MMEACACBLMNAMEN1KMT2A
SCHEMBL1867578 0.82 ACACB (0.49) MMEACACBEPHX1MEN1KMT2A
SCHEMBL533999 0.81 EPHX2 (0.39) ACACBRAB9AMAOB
SCHEMBL3785349 0.81 EPHX2 (0.39) LMNAEPHX1MEN1KMT2A
SCHEMBL3776009 0.80 PSIP1 (0.41) MEN1KMT2A
SCHEMBL27801725 0.74 MME (0.43) MMEACACBEPHX1MEN1KMT2A
SCHEMBL2574724 0.74 GCGR (0.41) LMNA
SCHEMBL2426124 0.72 MMP8 (0.54) MMEACACBLMNAMEN1KMT2A
SCHEMBL9317096 0.72 LDHA (0.52) ACACBLMNAEPHX1KMT2ALDHA

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 7 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
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 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 (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 MME 4593/4885ACACB 3342/4885LMNA 3909/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 MME 4616/4885ACACB 3604/4885LMNA 4100/4885

“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.