SCHEMBL2369130

SCHEMBL2369130

CC(CC(C)(C)O)Oc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
MKNK2 Q9HBH9 2/20 0.41
PKM P14618 1/20 0.38
AR P10275 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12291797 0.87 MKNK2 (0.39) RAB9AALDH1A1MAPTHTTMKNK2
SCHEMBL2379244 0.83 TDP1 (0.45) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL16336039 0.82 TDP1 (0.47) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL1038678 0.79 TDP1 (0.53) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL2409556 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHTTTDP1ATM
SCHEMBL2368687 0.78 MKNK2 (0.48) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL2405657 0.78 ALDH1A1 (0.49) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL2368879 0.77 RAB9A (0.46) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL27886456 0.77 ALDH1A1 (0.45) RAB9AALDH1A1MAPTHTTTDP1
SCHEMBL2368217 0.77 MKNK2 (0.42) ALDH1A1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2539343-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104340-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 RAB9A 2397/4885ALDH1A1 3994/4885MAPT 2652/4885

“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.