SCHEMBL9915511

SCHEMBL9915511

CC(C)C[C@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTRB1 P17538 1/20 0.43
CTSK P43235 2/20 0.43
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.42
CTSB P07858 1/20 0.42
CDC25B P30305 1/20 0.41

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
SCHEMBL4219713 0.85 ALDH1A1 (0.48) RAB9ACYP2C9ALDH1A1NPC1LMNA
SCHEMBL10850521 0.84 RAB9A (0.47) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13765185 0.84 ELANE (0.46) CYP3A4CYP2D6CYP2C9ALDH1A1LMNA
SCHEMBL13790082 0.81 ELANE (0.41) CYP2C9ALDH1A1MAPTELANE
SCHEMBL13765196 0.81 ELANE (0.41) CYP2C9ALDH1A1MAPTELANE
SCHEMBL4218555 0.77 CTRB1 (0.46) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23440237 0.77 TP53 (0.53) ALDH1A1LMNASMN1; SMN2
SCHEMBL15991784 0.76 POLB (0.43) ALDH1A1NPC1MAPTSMN1; SMN2GAA
SCHEMBL13765035 0.75 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2ELANEGAA
SCHEMBL15446321 0.75 ALDH1A1 (0.48) RAB9ACYP2C9ALDH1A1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 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
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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 (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 RAB9A 2614/4885CYP3A4 929/4885CYP2D6 353/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM RAB9A 2614/4885CYP3A4 929/4885CYP2D6 353/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM RAB9A 2614/4885CYP3A4 929/4885CYP2D6 353/4885

“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.