SCHEMBL2111265

SCHEMBL2111265

CCOC(OCC)([PH2]=O)c1ccccc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
GLA P06280 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2111264 0.77 KMT2A (0.45) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL3286925 0.75 CFTR (0.41) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL1788945 0.73 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL1788233 0.72 TSHR (0.57) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL23058134 0.71 TSHR (0.47) TSHRLMNAALDH1A1HSD17B10CFTR
Ammonia Solution, Strong SCHEMBL28371090 0.71 TSHR (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL45490 0.71 LMNA (0.59) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL11640332 0.71 TSHR (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL10938198 0.71 TSHR (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL17398614 0.71 TSHR (0.49) TSHRLMNAALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
EP-2794608-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS Merck Patent GmbH (DE) 2014-10-29 EP disclosed
EP-2674434-A1 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2013-12-18 EP disclosed
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 WO disclosed
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US disclosed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 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-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 TSHR 2301/4885LMNA 3770/4885ALDH1A1 597/4885

“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.