SCHEMBL3154992

SCHEMBL3154992

C=Cc1cc(Br)cc(OC(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL16954451 0.86 DRD1 (0.38) DRD1KDM4EMAPT
SCHEMBL16962151 0.81 KDM4E (0.35) DRD1KDM4EPOLBMAPT
SCHEMBL24036554 0.81 DRD1 (0.49) DRD1KDM4EPOLBMAPT
SCHEMBL3163240 0.80 ALOX15 (0.36) DRD1KDM4EPOLBMAPT
SCHEMBL3167719 0.79 DRD1 (0.34) DRD1
SCHEMBL16959465 0.78 TP53 (0.38) DRD1
SCHEMBL16962491 0.78 CYP1B1 (0.47) KDM4EMAPT
SCHEMBL16953742 0.78 DRD1 (0.33) DRD1
SCHEMBL13787900 0.78 MEN1 (0.34) DRD1MAPT
SCHEMBL16951819 0.78 ALDH1A3 (0.36) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-7803954-B2 Competitive and selective inhibitors of trypsin-like serine proteases involved in hemostasis; anticoagulants; Ph(3-Cl)(5-OCHF2) (R)CH(OH)C(O)-Aze-Pab(OMe); oral administration; gelling matrix modified-release system ASTRAZENECA AB (SE) 2010-09-28 US disclosed
EP-2186800-A1 New mandelic acid derivatives and their use as thrombin inhibitors Astra Zeneca AB (SE) 2010-05-19 EP disclosed
EP-1347955-B1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2010-03-17 EP disclosed
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-09-20 US disclosed
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-08-30 US disclosed
CN-1939903-A Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2007-04-04 CN disclosed
CN-1939902-A Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2007-04-04 CN disclosed
CN-1291975-C Novel mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-12-27 CN disclosed
US-7129233-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-10-31 US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 US disclosed
CN-1656066-A combination drug ASTRAZENECA AB (SE) 2005-08-17 CN disclosed
EP-1513807-A1 PHARMACEUTICAL COMBINATION AstraZeneca AB (SE) 2005-03-16 EP disclosed
CN-1487919-A Novel mandelic acid derivatives and their use as thrombin inhibitors 2004-04-07 CN disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 US disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
EP-1347955-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS AstraZeneca AB (SE) 2003-10-01 EP disclosed
WO-2002044145-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2002-06-06 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 (4 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-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 DRD1 1225/4885KDM4E 4650/4885POLB 1216/4885
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 DRD1 3371/4885KDM4E 4282/4885POLB 3747/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 DRD1 569/4885KDM4E 3871/4885POLB 4335/4885
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 DRD1 3371/4885KDM4E 4282/4885POLB 3747/4885

“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.