SCHEMBL2800225

SCHEMBL2800225

CC(F)Oc1cc(Cl)cc(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.38
DRD1 P21728 2/20 0.35
TYR P14679 1/20 0.33
HSD17B10 Q99714 1/20 0.32
AHR P35869 1/20 0.32
ERN1 O75460 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2497078 0.86 DRD1 (0.49) ALDH1A3DRD1HSD17B10AHRERN1
SCHEMBL3154943 0.83 DRD1 (0.35) ALDH1A3DRD1HSD17B10NPC1GAA
SCHEMBL11682199 0.83 ALDH1A3 (0.38) ALDH1A3TYRHSD17B10AHRERN1
SCHEMBL3150404 0.80 DRD1 (0.33) DRD1HSD17B10
SCHEMBL29342799 0.76 ALDH1A1 (0.45) ALDH1A3HSD17B10GAAMAPTHPGD
SCHEMBL29955117 0.76 AHR (0.48) AHRERN1MAPTKMT2A
SCHEMBL2012634 0.76 AHR (0.48) AHRERN1MAPTKMT2A
SCHEMBL3150400 0.75 SOD1 (0.35) DRD1HSD17B10MAPT
SCHEMBL3150395 0.72 NOTUM (0.35) HSD17B10AHRERN1NPC1GAA
SCHEMBL3162925 0.71 NOTUM (0.46) HSD17B10AHRNPC1GAAMAPT

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 37 patents — showing the first 20. 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
US-7781424-B2 a time-release composition comprising antithrombins such as (2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide, hydroxy propyl methyl cellulose and sodium stearyl fumarate as a lubricant; cardiovascular disorder ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7763597-B2 Salts ASTRAZENECA AB (SE) 2010-07-27 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-7700582-B2 Pharmaceutical formulation ASTRAZENECA AB (SE) 2010-04-20 US 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
EP-2055696-A1 Acid addition salts of mandelic acid derivatives AstraZeneca AB (SE) 2009-05-06 EP disclosed
EP-1513806-B1 Sulphonic acid salts of mandelic acid derivatives ASTRAZENECA AB (SE) 2009-03-18 EP disclosed
US-20040242536-A1 controlled-release mixtures of plant extracts, gelation polymers and drugs such as ximelagatran, used for prophylaxis of cardiovascular disorders ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1401502-A1 PHARMACEUTICAL FORMULATION AstraZeneca AB (SE) 2004-03-31 EP disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 US disclosed
WO-2003101423-A1 IMMEDIATE RELEASE PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
WO-2003101424-A1 MODIFIED RELEASE PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
WO-2003101957-A1 NEW SALTS ASTRAZENECA AB (SE) 2003-12-11 WO 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-2003000293-A1 PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-01-03 WO 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 (3 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-20040242536-A1 controlled-release mixtures of plant extracts, gelation polymers and drugs such as ximelagatran, used for prophylaxis of cardiovascular disorders GANC, PYGM, F12 ALDH1A3 4700/4885DRD1 4134/4885TYR 1864/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A3 3269/4885DRD1 1225/4885TYR 595/4885
US-20100087651-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS TFPI, F2R, F2 ALDH1A3 1421/4885DRD1 3371/4885TYR 427/4885

“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.