SCHEMBL14136604

SCHEMBL14136604

CCCCOc1cn(OCCCC)c(CNC(=O)c2cccc(C(=O)OC)c2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.40
MDH1 P40925 2/20 0.39
CHRM3 P20309 1/20 0.39
CREBBP Q92793 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP13 P45452 1/20 0.38
SMPD1 P17405 4/20 0.37
ROCK2 O75116 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL14136603 0.92 USP2 (0.45) USP2MAPK1SMN1; SMN2THRBCREBBP
SCHEMBL9915493 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP1A2CYP2C9HPGD
SCHEMBL9915389 0.83 USP2 (0.39) USP2MAPK1SMN1; SMN2MAPTCYP1A2
SCHEMBL16748752 0.80 TP53 (0.34) MAPK1MAPTGAACYP1A2CYP2C9
SCHEMBL15279057 0.79 TP53 (0.33) MAPK1GAATHRBHPGD
SCHEMBL9915325 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP2C9HPGD
SCHEMBL9915385 0.76 WDR5 (0.48) CYP2C19
SCHEMBL9915355 0.73 COMT (0.38) MAPTGAATHRBCYP1A2CYP2C9
SCHEMBL9915381 0.73 NPC1 (0.38) MAPK1SMN1; SMN2HPGD
SCHEMBL15279017 0.72 FAAH (0.33) USP2MAPK1SMN1; SMN2

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
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 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 (3 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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM USP2 1536/4885MAPK1 4319/4885SMN1; SMN2 4574/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM USP2 1536/4885MAPK1 4319/4885SMN1; SMN2 4574/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM USP2 1536/4885MAPK1 4319/4885SMN1; SMN2 4574/4885

“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.