SCHEMBL1106489

SCHEMBL1106489

COc1cc(F)c(=O)n(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
CPS1 P31327 4/20 0.34
MAOB P27338 3/20 0.33
MIF P14174 3/20 0.33
BRD4 O60885 2/20 0.32
HTR6 P50406 1/20 0.32
AMY1A P0DUB6 1/20 0.32
PMM2 O15305 2/20 0.31
MPI P34949 2/20 0.31
PHOSPHO1 Q8TCT1 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
MAOA P21397 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
SCHEMBL10312998 0.83 SMN1; SMN2 (0.35) TAAR1CPS1MAOBKDM4EALDH1A1
SCHEMBL1106492 0.80 BMPR1B (0.40) ALDH1A1TDP1NPC1
SCHEMBL1106436 0.77 BRD4 (0.37) BRD4KDM4EALDH1A1TDP1
SCHEMBL1155870 0.76 BRD4 (0.41) TAAR1CPS1MIFBRD4AMY1A
SCHEMBL1106490 0.76 BRD4 (0.34) BRD4KDM4EALDH1A1TDP1
SCHEMBL28653344 0.74 ALOX15 (0.35) BRD4KDM4EALDH1A1TDP1
SCHEMBL29527467 0.74 NPBWR1 (0.34) KDM4EALDH1A1TDP1
SCHEMBL1106449 0.71 BMPR1B (0.39) BRD4KDM4EALDH1A1TDP1
SCHEMBL30558164 0.70 ALDH1A1 (0.36) PMM2MPIPHOSPHO1ALDH1A1
SCHEMBL1106438 0.68 CA12 (0.39) BRD4HTR6KDM4EALDH1A1TDP1

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
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TAAR1 4037/4885CPS1 1734/4885MAOB 239/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TAAR1 4037/4885CPS1 1734/4885MAOB 239/4885

“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.