SCHEMBL3157145

SCHEMBL3157145

CS(=O)(=O)OCc1ccc(C#N)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
DAO P14920 2/20 0.42
RORC P51449 1/20 0.41
PARG Q86W56 2/20 0.39
KCNJ1 P48048 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
KCNH2 Q12809 1/20 0.36
CA1 P00915 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
STAT3 P40763 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL17610841 0.88 RORC (0.41) TRPV4RORC
SCHEMBL286670 0.85 DAO (0.46) TRPV4DAOKCNJ1KCNH2
SCHEMBL17610661 0.83 MRGPRX4 (0.43) CA2CA9KCNH2CA1MRGPRX4
SCHEMBL17610774 0.83 TRPV4 (0.40) TRPV4
SCHEMBL20300564 0.82 MRGPRX4 (0.42) TRPV4KCNJ1CA2CA9KCNH2
SCHEMBL17610723 0.81 ALDH1A1 (0.47) CA2CA9CA1
SCHEMBL17610838 0.81 AR (0.43) KCNJ1KCNH2
SCHEMBL17610646 0.80 CA2 (0.37) CA2CA9CA1FFAR1MRGPRX4
SCHEMBL16892292 0.79 TRPV4 (0.52) TRPV4DAOCYP11B1CYP11B2
SCHEMBL31605567 0.79 TRPV4 (0.52) TRPV4DAOCYP11B1CYP11B2

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
EP-3475275-B1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-04-10 EP disclosed
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-07-20 US disclosed
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 US disclosed
EP-3475275-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-05-01 EP disclosed
WO-2017222951-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 WO 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
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
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
EP-1513807-A1 PHARMACEUTICAL COMBINATION AstraZeneca AB (SE) 2005-03-16 EP 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 (8 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 TRPV4 4020/4885DAO 279/4885RORC 2812/4885
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 TRPV4 3575/4885DAO 169/4885RORC 3860/4885
US-20100087651-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS TFPI, F2R, F2 TRPV4 4080/4885DAO 280/4885RORC 3130/4885
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors HDAC6, HDAC1, HDAC5 TRPV4 4711/4885DAO 833/4885RORC 430/4885
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 TRPV4 4080/4885DAO 280/4885RORC 3130/4885
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS HDAC6, HDAC1, HDAC5 TRPV4 4711/4885DAO 833/4885RORC 430/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 TRPV4 723/4885DAO 560/4885RORC 1377/4885
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 TRPV4 4080/4885DAO 280/4885RORC 3130/4885

“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.