SCHEMBL17486357

SCHEMBL17486357

CC(=O)c1cccc(CNCC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.47
SLC7A5 Q01650 1/20 0.45
VSIR Q9H7M9 1/20 0.42
MAOB P27338 6/20 0.42
PTPRC P08575 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.39
MAOA P21397 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL5038405 0.89 MEP1B (0.60) MEP1BSLC7A5NR1H4RAB9A
SCHEMBL15876029 0.89 SLC7A5 (0.54) MEP1BSLC7A5VSIRPTPRCNR1H4
SCHEMBL1830056 0.88 LOXL2 (0.54) MEP1BSLC7A5RAB9ALOXL2
Hydrochloric Acid SCHEMBL17433718 0.88 SLC7A5 (0.53) MEP1BSLC7A5VSIRPTPRCNR1H4
SCHEMBL16355777 0.86 SLC7A5 (0.44) MEP1BSLC7A5VSIRPTPRCNPC1
Hydrochloric Acid SCHEMBL28220743 0.84 TSHR (0.47) MEP1BSLC7A5VSIRPTPRCNR1H4
SCHEMBL1731405 0.82 VSIR (0.43) MEP1BVSIRPTPRCATM
SCHEMBL16355714 0.82 BCHE (0.47) VSIRPTPRCNR1H4ATM
SCHEMBL29572055 0.82 BCHE (0.47) VSIRPTPRCNR1H4ATM
SCHEMBL6432710 0.81 MEN1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 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 (1 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 MEP1B 273/4885SLC7A5 1890/4885VSIR 3084/4885

“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.