SCHEMBL6231360

SCHEMBL6231360

CC(C)c1n[nH]cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
TSHR P16473 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
CFD P00746 2/20 0.34
KDM5A P29375 2/20 0.34

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
SCHEMBL719835 0.81 LMNA (0.40) KDM4EHSD17B10ALDH1A1TSHRLMNA
SCHEMBL22637765 0.80 NOTUM (0.33) HCAR3HCAR2NOTUMKDM4EHSD17B10
SCHEMBL601435 0.80 NOTUM (0.33) NOTUMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3298133 0.80 NOTUM (0.33) NOTUMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL28645320 0.79 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL1867900 0.77 NOTUM (0.31) NOTUMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4294216 0.77 KMT2A (0.46) KDM4EHSD17B10ALDH1A1TSHRLMNA
SCHEMBL22637468 0.76 KDM4A (0.33) HCAR3NOTUMKDM4EHSD17B10ALDH1A1
SCHEMBL30798629 0.75 NOTUM (0.45) HCAR2NOTUMKDM4EHSD17B10ALDH1A1
SCHEMBL1864413 0.74 ALDH1A1 (0.32) NOTUMKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022138791-A1 EP2 ANTAGONIST 小野薬品工業株式会社 2022-06-30 WO disclosed
EP-3157938-B1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECH PTY LTD (AU) 2022-03-16 EP disclosed
US-20210387161-A1 APPARATUS AND METHOD FOR PRODUCING FILMS OF POROUS COORDINATION POLYMERS BY FLOW OF REAGENTS MATRIX SENSORS, INC. (US) 2021-12-16 US disclosed
US-10768176-B2 Hetero functional binding systems ANTEO TECHNOLOGIES PTY LTD (AU) 2020-09-08 US disclosed
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US disclosed
US-20190255510-A1 APPARATUS AND METHOD FOR PRODUCING FILMS OF POROUS COORDINATION POLYMERS BY FLOW OF REAGENTS MATRIX SENSORS, INC. (US) 2019-08-22 US disclosed
US-20170173623-A1 DEVICE AND METHOD FOR PRODUCING COATINGS OF POROUS COORDINATION POLYMERS BY FLOW OF REAGENTS MATRIX SENSORS, INC. (US) 2017-06-22 US disclosed
US-20170115285-A1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECHNOLOGIES PTY LTD (AU) 2017-04-27 US disclosed
EP-3157938-A1 HETERO FUNCTIONAL BINDING SYSTEMS Anteo Technologies Pty Ltd. (AU) 2017-04-26 EP disclosed
WO-2015192183-A1 HETERO FUNCTIONAL BINDING SYSTEMS ANTEO TECHNOLOGIES PTY LTD (AU) 2015-12-23 WO disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 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 (1 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG HCAR3 1373/4885HCAR2 1881/4885NOTUM 143/4885

“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.