SCHEMBL3346012

SCHEMBL3346012

CC(C)(C)c1ccc(C(=O)O)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
GRN P28799 4/20 0.43
SORT1 Q99523 4/20 0.43
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
P4HTM Q9NXG6 4/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
MGAM O43451 1/20 0.34
SRD5A2 P31213 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
NNMT P40261 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL12668137 0.85 GRN (0.36) KDM4EGRNSORT1ALDH1A1SRD5A2
SCHEMBL14755582 0.82 NNMT (0.53) KDM4EGRNSORT1ALDH1A1TSHR
SCHEMBL30505631 0.79 ASPH (0.38) KDM4EALDH1A1ALOX15TSHRTDP1
SCHEMBL1111665 0.79 ASPH (0.38) KDM4EALDH1A1ALOX15TSHRTDP1
SCHEMBL698657 0.79 KDM4E (0.52) KDM4EALDH1A1ALOX15TSHRTDP1
SCHEMBL13230300 0.79 MAPK1 (0.44) KDM4ETSHRTDP1L3MBTL1MAPK1
SCHEMBL12775329 0.79 RAB9A (0.37) ALDH1A1L3MBTL1LMNA
SCHEMBL17808318 0.77 LMNA (0.39) KDM4EALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL47578 0.76 TSHR (0.38) KDM4EGRNSORT1ALDH1A1TSHR
SCHEMBL12775490 0.74 CNR1 (0.41) KDM4EALDH1A1ALOX15TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP claimed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US claimed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 WO claimed
EP-3802517-B1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2022-12-21 EP disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
US-10442828-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-10-15 US disclosed
US-20170291917-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-10-12 US disclosed
US-20170291917-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-10-12 US disclosed
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 US disclosed
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 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 (5 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-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK KDM4E 1333/4885GRN 3943/4885SORT1 4362/4885
US-10442828-B2 Kinase inhibitors SYK, LTK, LTB4R KDM4E 2216/4885GRN 4634/4885SORT1 2244/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 KDM4E 868/4885GRN 4368/4885SORT1 4630/4885
US-20170291917-A1 KINASE INHIBITORS SYK, LYN, BTK KDM4E 2053/4885GRN 2580/4885SORT1 3255/4885
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 KDM4E 2727/4885GRN 3796/4885SORT1 2656/4885

“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.