SCHEMBL4514090

SCHEMBL4514090

CC(C)(C)OC(=O)NC1CCN(c2c(F)cc(C(=O)OCc3ccccc3)c(F)c2F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
RORC P51449 5/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
HSD11B1 P28845 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
KCNA3 P22001 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
BTK Q06187 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39

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
SCHEMBL4510870 0.88 CTSK (0.46) CTSLCTSBCTSKRORCKMT2A
SCHEMBL4510873 0.88 CTSK (0.46) CTSLCTSBCTSKRORCKMT2A
SCHEMBL4519444 0.87 CTSK (0.41) CTSKPIM1PIM3PIM2CKS1B
SCHEMBL4519448 0.87 CTSK (0.41) CTSKPIM1PIM3PIM2CKS1B
SCHEMBL4507664 0.83 PIM1 (0.38) CTSLCTSBCTSKRORCKMT2A
SCHEMBL4507661 0.83 PIM1 (0.38) CTSLCTSBCTSKRORCKMT2A
SCHEMBL4511839 0.83 CTSL (0.42) CTSLCTSBCTSKRORCKMT2A
SCHEMBL4511843 0.83 CTSL (0.42) CTSLCTSBCTSKRORCKMT2A
SCHEMBL4520078 0.81 BTK (0.40) CTSKPIM1PIM3PIM2CKS1B
SCHEMBL4527046 0.81 CTSL (0.38) CTSLCTSBCTSKRORCKMT2A

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-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 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-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CTSL 2925/4885CTSB 3240/4885CTSK 632/4885

“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.