SCHEMBL4568010

SCHEMBL4568010

Cc1ccc(Cl)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL29991673 1.00 LMNA (0.56) LMNAALDH1A1GAAPOLBTSHR
SCHEMBL5731619 0.88 POLB (0.54) ALDH1A1GAAPOLBTSHRSMN1; SMN2
SCHEMBL3787046 0.87 KMT2A (0.54) GAAMEN1KMT2AMAPT
SCHEMBL28738831 0.86 PDK1 (0.56) ALDH1A1GAAPOLBTSHRHTT
SCHEMBL4568018 0.85 NLRP3 (0.55) LMNAALDH1A1GAAPOLBTSHR
SCHEMBL31458629 0.84 KCNMA1 (0.54) LMNAGAAPOLBTSHRHTT
SCHEMBL3327166 0.84 KCNMA1 (0.54) LMNAGAAPOLBTSHRHTT
SCHEMBL23954504 0.83 KMT2A (0.47) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL15677015 0.83 HSP90AA1 (0.45) GAAMEN1KMT2AMAPT
SCHEMBL31568826 0.83 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
CN-1067986-C 1H-indole-3-acetic acid hydrazide spla2 inhibitors LILLY CO ELI (US) 2001-07-04 CN disclosed
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
CN-1098714-A The 1H-indole-3-acetic acid hydrazide spla 2 inhibitors LILLY CO ELI (US) 1995-02-15 CN disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R LMNA 4472/4885ALDH1A1 422/4885GAA 4525/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 LMNA 1848/4885ALDH1A1 1614/4885GAA 2915/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 LMNA 1232/4885ALDH1A1 4720/4885GAA 92/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 LMNA 1571/4885ALDH1A1 1441/4885GAA 1082/4885

“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.