SCHEMBL192338

SCHEMBL192338

CC(C)(C)N(C(=O)O)[C@H]1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 3/20 0.40
PER2 O15055 1/20 0.40
CRY1 Q16526 1/20 0.40
CRY2 Q49AN0 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
PIN1 Q13526 2/20 0.39
PDPK1 O15530 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
SCHEMBL4596549 0.81 RAB9A (0.40) RAB9AALDH1A1XBP1HTTSIGMAR1
SCHEMBL18497279 0.80 ACHE (0.40) TRPM8
SCHEMBL1827400 0.80 SRD5A1 (0.40)
SCHEMBL193594 0.80 RAB9A (0.58) RAB9AALDH1A1XBP1HTTTRPM8
SCHEMBL193593 0.80 RAB9A (0.58) RAB9AALDH1A1XBP1HTTTRPM8
SCHEMBL2576333 0.79 MAPT (0.39) RAB9A
SCHEMBL2283972 0.78 PYGL (0.43) MAPK14
SCHEMBL2281716 0.78 PYGL (0.43) MAPK14
SCHEMBL1665427 0.78 TRPM8 (0.49) RAB9AALDH1A1XBP1HTTTRPM8
SCHEMBL2284193 0.77 SCN9A (0.43)

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-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RAB9A 2706/4885ALDH1A1 987/4885XBP1 700/4885

“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.