SCHEMBL12704182

SCHEMBL12704182

CCOC(=O)CN1C=CCC=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ MGAM O43451 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PIN4 Q9Y237 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 2/20 0.36

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
SCHEMBL12704285 0.77 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL11317425 0.74 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL6074598 0.71 GSK3A (0.47) GSK3AGSK3BMGAMGAASI
SCHEMBL9837810 0.70 MGAM (0.52) GSK3AGSK3BMGAMGAASI
SCHEMBL31734204 0.69 GSK3A (0.46) GSK3AGSK3BMGAMGAASI
SCHEMBL9237852 0.69 GSK3A (0.42) GSK3AGSK3BMGAMGAASI
SCHEMBL8912811 0.69 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL2373233 0.69 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL3966571 0.69 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL11852921 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240449-B1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NAT RECH SCIENT (FR) 2016-01-06 — — EP disclosed
US-8710073-B2 Anti-infective derivatives, method for the production thereof, pharmaceutical compositions containing same and uses of said derivatives in treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-04-29 — — US disclosed
US-8710073-B2 Anti-infective derivatives, method for the production thereof, pharmaceutical compositions containing same and uses of said derivatives in treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-04-29 — — US disclosed
US-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFOQUE (C.N. (FR) 2011-04-21 — — US disclosed
US-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFOQUE (C.N. (FR) 2011-04-21 — — US disclosed
WO-2009101345-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2009-08-20 — — 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-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT DHFR, COASY, QDPR GSK3A 2757/4885GSK3B 2447/4885MGAM 971/4885

“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.

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