SCHEMBL19953580

SCHEMBL19953580

C=COC(=S)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX12 P18054 2/20 0.36
HPGD P15428 1/20 0.36
PAM P19021 1/20 0.36
MEN1 O00255 3/20 0.36
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL10402623 0.80 CES1 (0.45) CES2CES1AKR1B1GAAALDH1A1
SCHEMBL10402622 0.80 CES1 (0.45) CES2CES1AKR1B1GAAALDH1A1
SCHEMBL5321145 0.77 CYP3A4 (0.46) CES2CES1AKR1B1GAAALDH1A1
SCHEMBL163579 0.76 ALDH1A1 (0.55) CES2CES1AKR1B1ALDH1A1MAPK1
Methyl Alcohol SCHEMBL4364856 0.73 TSHR (0.53) CES2CES1AKR1B1ALDH1A1MAPK1
SCHEMBL10535988 0.73 CES1 (0.57) CES2CES1AKR1B1ALDH1A1MAPK1
SCHEMBL7324968 0.72 ALDH1A1 (0.45) CES2CES1AKR1B1GAAALDH1A1
SCHEMBL7916718 0.72 CES1 (0.45) CES2CES1AKR1B1GAAALDH1A1
SCHEMBL3048337 0.71 ALDH1A1 (0.59) CES2CES1AKR1B1ALDH1A1MAPK1
Phenylacetic Acid SCHEMBL27442533 0.71 AKR1B1 (0.59) CES2CES1AKR1B1GAAALDH1A1

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
US-20200361901-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. 2020-11-19 US claimed
EP-3510023-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING Pharmakea, Inc. (US) 2019-07-17 EP claimed
US-20190202805-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. 2019-07-04 US claimed
WO-2018048943-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. (US) 2018-03-15 WO claimed
US-20200361901-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. 2020-11-19 US disclosed
US-10774069-B2 Crystalline forms of a lysyl oxidase-like 2 inhibitor and methods of making PHARMAKEA, INC. (US) 2020-09-15 US disclosed
EP-3510023-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING Pharmakea, Inc. (US) 2019-07-17 EP disclosed
US-20190202805-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. 2019-07-04 US disclosed
WO-2018048943-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING PHARMAKEA, INC. (US) 2018-03-15 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-10774069-B2 Crystalline forms of a lysyl oxidase-like 2 inhibitor and methods of making LOXL2, LOXL1, LOX CES2 440/4885CES1 181/4885AKR1B1 264/4885
US-20190202805-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING LOXL2, LOXL1, LOX CES2 440/4885CES1 181/4885AKR1B1 264/4885
US-20200361901-A1 CRYSTALLINE FORMS OF A LYSYL OXIDASE-LIKE 2 INHIBITOR AND METHODS OF MAKING LOXL2, LOXL1, LOX CES2 440/4885CES1 181/4885AKR1B1 264/4885

“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.