SCHEMBL14915840

SCHEMBL14915840

COc1ccc(C(C(=O)O)C(=O)O)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 4/20 0.50
POLB P06746 4/20 0.50
AKR1C3 P42330 9/20 0.47
AKR1C2 P52895 9/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC16A3 O15427 1/20 0.44

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
SCHEMBL2554045 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL14915520 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL14915522 0.87 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL12546032 0.84 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL24257971 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL30575774 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL22149208 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL383820 0.77 ALDH1A1 (0.66) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL9654987 0.76 ALDH1A1 (0.46) SMN1; SMN2KDM4EAKR1C3AKR1C2ALDH1A1
SCHEMBL7267474 0.76 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP disclosed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US 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 (4 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-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B SMN1; SMN2 1710/4885KDM4E 2209/4885POLB 2984/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B SMN1; SMN2 1928/4885KDM4E 2227/4885POLB 3001/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A SMN1; SMN2 941/4885KDM4E 1376/4885POLB 1343/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B SMN1; SMN2 1689/4885KDM4E 2156/4885POLB 3008/4885

“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.