SCHEMBL5399566

SCHEMBL5399566

O=C(O)C1(O)CCOc2c(OC(F)F)cc(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 6/20 0.34
RAB9A P51151 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL5399558 1.00 MEN1 (0.36) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5399150 0.83 PPARD (0.32) AKR1B1
SCHEMBL6611246 0.82 MEN1 (0.34) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5477746 0.81 MAP3K14 (0.35) PDE4AAKR1B1
SCHEMBL5402110 0.81 MAP3K14 (0.35) PDE4AAKR1B1
SCHEMBL5399565 0.80
SCHEMBL6605188 0.79 AKR1B1 (0.42) AKR1B1
SCHEMBL6605186 0.79 AKR1B1 (0.42) AKR1B1
SCHEMBL6580397 0.79 AKR1B1 (0.42) AKR1B1
SCHEMBL6583197 0.78 AKR1B1 (0.45) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-7241757-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-07-10 US disclosed
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2004-09-23 US disclosed
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US disclosed
EP-1140820-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1140820-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 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 (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-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, TFPI MEN1 1056/4885KMT2A 4202/4885MAPT 4846/4885
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 MEN1 1587/4885KMT2A 4730/4885MAPT 4838/4885

“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.