SCHEMBL3150404

SCHEMBL3150404

O=Cc1cc(Cl)cc(OC(F)CF)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.33
SOD1 P00441 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3154943 0.83 DRD1 (0.35) DRD1HSD17B10
SCHEMBL2497078 0.83 DRD1 (0.49) DRD1HSD17B10
SCHEMBL2800225 0.80 ALDH1A3 (0.38) DRD1HSD17B10
SCHEMBL3150400 0.75 SOD1 (0.35) DRD1SOD1CYP2C19HSD17B10
SCHEMBL6279527 0.74 DRD1 (0.59) DRD1
SCHEMBL11682199 0.73 ALDH1A3 (0.38) HSD17B10
SCHEMBL2800227 0.73 MAPT (0.40) SOD1CYP2C19HSD17B10
SCHEMBL3154935 0.71 NOTUM (0.33) HSD17B10
SCHEMBL2012634 0.70 AHR (0.48)
SCHEMBL29955117 0.70 AHR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100087651-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS INGHARDT TORD 2010-04-08 US disclosed
EP-1347955-B1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2010-03-17 EP disclosed
US-7645751-B2 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA (SE) 2010-01-12 US disclosed
US-20080090800-A1 Mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2008-04-17 US 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 (6 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-20080090800-A1 Mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 DRD1 3489/4885SOD1 2203/4885CYP2C19 99/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 DRD1 1225/4885SOD1 4721/4885CYP2C19 145/4885
US-20100087651-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS TFPI, F2R, F2 DRD1 3371/4885SOD1 2298/4885CYP2C19 137/4885
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 DRD1 3371/4885SOD1 2298/4885CYP2C19 137/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 DRD1 569/4885SOD1 3808/4885CYP2C19 20/4885
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 DRD1 3371/4885SOD1 2298/4885CYP2C19 137/4885

“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.