SCHEMBL1698475

SCHEMBL1698475

CC(C)N1CCCSC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
INMT O95050 3/20 0.40
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1698643 0.86
SCHEMBL21859417 0.77 INMT (0.56) INMT
SCHEMBL12020975 0.71
SCHEMBL8089482 0.70 PER2 (0.37) ALDH1A1MAPT
SCHEMBL25879616 0.68 INMT (0.32) INMT
SCHEMBL25892906 0.68 INMT (0.32) INMT
SCHEMBL1106524 0.68 SMN1; SMN2 (0.37) ALDH1A1HTTMAPT
SCHEMBL10363056 0.67 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL105138 0.67
SCHEMBL13501646 0.67 KDM4E (0.36) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 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 (5 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 INMT 4264/4885MAPK1 2651/4885ALDH1A1 911/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 INMT 4264/4885MAPK1 2651/4885ALDH1A1 911/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 INMT 4264/4885MAPK1 2651/4885ALDH1A1 911/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 INMT 4264/4885MAPK1 2651/4885ALDH1A1 911/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 INMT 4264/4885MAPK1 2651/4885ALDH1A1 911/4885

“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.