SCHEMBL11902151

SCHEMBL11902151

COc1ccc2c(c1)CCc1cc(C(=O)O)sc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
GLA P06280 2/20 1.00
MAPT P10636 3/20 0.82
L3MBTL1 Q9Y468 2/20 0.82
RAB9A P51151 2/20 0.82
GAA P10253 1/20 0.82
ATM Q13315 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
NOTUM Q6P988 13/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 2/20 0.61
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.49
ALPL P05186 1/20 0.49
CLK1 P49759 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.46

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
SCHEMBL20597059 0.89 KDM4E (0.80) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL14052758 0.83 KDM4E (0.77) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20597148 0.81 KDM4E (0.68) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20597599 0.79 KDM4E (0.65) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20596920 0.79 KDM4E (0.65) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20597134 0.78 NOTUM (0.66) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20597486 0.78 NOTUM (0.66) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20596921 0.78 NOTUM (0.66) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL11965076 0.78 KDM4E (0.63) KDM4EGLAMAPTL3MBTL1RAB9A
SCHEMBL20597215 0.78 KDM4E (0.64) KDM4EGLAMAPTL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202772-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-06-30 US disclosed
WO-2021050556-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-03-18 WO disclosed
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
WO-2012166458-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-12-06 WO disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 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-20220202772-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RACK1, RRBP1, RPL30 KDM4E 2155/4885GLA 1272/4885MAPT 3139/4885
US-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 KDM4E 4356/4885GLA 2694/4885MAPT 3932/4885
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE KDM4E 333/4885GLA 57/4885MAPT 3769/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885GLA 3698/4885MAPT 4606/4885
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE KDM4E 333/4885GLA 57/4885MAPT 3769/4885

“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.