SCHEMBL4073205

SCHEMBL4073205

COC(C)C(=O)Oc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
TDP1 Q9NUW8 5/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
CASP6 P55212 1/20 0.40
GFER P55789 1/20 0.40
PARP10 Q53GL7 1/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 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
SCHEMBL16262020 0.85 ELANE (0.46) ELANETDP1MAPK1ALDH1A1KDM4E
SCHEMBL4683823 0.82 ELANE (0.66) ELANETDP1MAPK1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL27456547 0.81 ELANE (0.63) ELANETDP1MAPK1CYP3A4ALDH1A1
SCHEMBL3128225 0.81 ELANE (0.48) ELANETDP1MAPK1CYP3A4ALDH1A1
SCHEMBL239299 0.81 ELANE (0.48) ELANETDP1MAPK1CYP3A4ALDH1A1
SCHEMBL6479198 0.81 ELANE (0.51) ELANETDP1ALDH1A1GAAKMT2A
SCHEMBL18772361 0.81 ELANE (0.51) ELANETDP1ALDH1A1GAAKMT2A
SCHEMBL9337519 0.80 CA1 (0.55) ELANEMAPK1ALDH1A1KDM4EMAPT
SCHEMBL9337509 0.80 CA1 (0.55) ELANEMAPK1ALDH1A1KDM4EMAPT
SCHEMBL16270206 0.80 TEAD4 (0.47) ELANETDP1ALDH1A1MAPTGAA

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-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 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-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 ELANE 3615/4885TDP1 3714/4885MAPK1 3896/4885

“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.