SCHEMBL4337805

SCHEMBL4337805

CCON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CBr)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.55
▸ PTGS1 P23219 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ NR1I2 O75469 4/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ABCC4 O15439 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALB P02768 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 2/20 0.40

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
SCHEMBL4337797 1.00 KCNH2 (0.55) KCNH2PTGS1ABCB11PDE4DNR1I2
SCHEMBL10504223 0.93 KCNH2 (0.55) KCNH2PTGS1ABCB11PDE4DNR1I2
SCHEMBL9624450 0.93 KCNH2 (0.55) KCNH2PTGS1ABCB11PDE4DNR1I2
SCHEMBL10532770 0.93 KCNH2 (0.55) KCNH2PTGS1ABCB11PDE4DNR1I2
SCHEMBL9624448 0.93 KCNH2 (0.55) KCNH2PTGS1ABCB11PDE4DNR1I2
SCHEMBL10504227 0.93 KCNH2 (0.55) KCNH2PTGS1ABCB11PDE4DNR1I2
Hydrochloric Acid SCHEMBL10796057 0.91 KCNH2 (0.52) KCNH2PTGS1ABCB11PDE4DNR1I2
Hydrochloric Acid SCHEMBL10796066 0.91 KCNH2 (0.52) KCNH2PTGS1ABCB11PDE4DNR1I2
Hydrochloric Acid SCHEMBL10796052 0.91 KCNH2 (0.52) KCNH2PTGS1ABCB11PDE4DNR1I2
SCHEMBL10367139 0.89 KCNH2 (0.54) KCNH2PTGS1ABCB11PDE4DNR1I2

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-9476087-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-10-25 — — US disclosed
US-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY UNIV NANYANG TECH (SG) 2014-10-30 — — US disclosed
US-8802387-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-12 — — US disclosed
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 — — 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-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB KCNH2 3923/4885PTGS1 4211/4885ABCB11 1813/4885
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB KCNH2 3937/4885PTGS1 4249/4885ABCB11 1838/4885

“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.

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