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.

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