SCHEMBL787520

SCHEMBL787520

COc1ccc(C(N)=O)c(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 6/20 0.59
MAPK1 P28482 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
ALOX15 P16050 3/20 0.59
CYP3A4 P08684 3/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 3/20 0.59
RECQL P46063 1/20 0.59
NNMT P40261 1/20 0.44
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL14880183 0.85 MAPT (0.47) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL1355519 0.82 ALDH1A1 (0.55) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL3189109 0.82 MAPT (0.72) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL29378830 0.82 MAPT (0.72) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL3043734 0.82 MAPT (0.61) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL29700534 0.82 MAPT (0.61) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL3675060 0.81 HMGCR (0.56) MAPTKDM4EMAPK1ALDH1A1HSD17B10
Water SCHEMBL13834852 0.80 MAPT (0.59) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL856059 0.80 MAPT (0.59) MAPTKDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL3424158 0.80 ERN1 (0.54) MAPTKDM4EMAPK1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
EP-3138840-B1 THIADIAZOLIDINE DERIVATIVE AS ANTI-ENTEROVIRUS 71 JIANGSU KANION PHARMACEUTICAL CO LTD (CN) 2020-09-23 EP disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 WO disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
EP-3138840-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion Pharmaceutical Co., Ltd. (CN) 2017-03-08 EP disclosed
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO disclosed
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C MAPT 998/4885KDM4E 1353/4885MAPK1 1116/4885
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAPT 4782/4885KDM4E 1987/4885MAPK1 1838/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAPT 4782/4885KDM4E 1987/4885MAPK1 1838/4885

“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.