SCHEMBL4998342

SCHEMBL4998342

C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL9404995 0.91 LMNA (0.47) LMNATP53MEN1MAPTKMT2A
SCHEMBL27771387 0.88 LMNA (0.54) LMNATP53MEN1MAPTKMT2A
SCHEMBL27941740 0.85 TDP1 (0.49) LMNAMEN1MAPTKMT2ACYP1A2
SCHEMBL657614 0.85 ALDH1A1 (0.59) LMNAMEN1MAPTKMT2AF2
SCHEMBL27679166 0.85 ALDH1A1 (0.59) LMNAMEN1MAPTKMT2AF2
SCHEMBL20299326 0.84 TSHR (0.52) LMNATP53F2ALDH1A1TSHR
SCHEMBL27612334 0.84 CHRNB2 (0.51) LMNAMEN1MAPTKMT2AF2
SCHEMBL7671999 0.83 TSHR (0.55) LMNATP53MEN1MAPTKMT2A
SCHEMBL30283493 0.82 ALDH1A1 (0.61) LMNAMEN1MAPTKMT2AGAA
SCHEMBL829966 0.82 LMNA (0.59) LMNAMEN1MAPTKMT2ACYP1A2

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-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease ASTRAZENECA AB (SE) 2008-10-23 US disclosed
EP-1735298-A1 PIPERIDINE DERIVATES FOR THE TREATMENT OF CHEMOKINES MEDIARED DISEASE AstraZeneca AB (SE) 2006-12-27 EP disclosed
WO-2005097775-A1 PIPERIDINE DERIVATES FOR THE TREATMENT OF CHEMOKINES MEDIARED DISEASE ASTRAZENECA AB (SE) 2005-10-20 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 (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-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease CCR3, CCR1, CCR4 LMNA 4019/4885TP53 3499/4885MEN1 1440/4885

“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.