SCHEMBL12258757

SCHEMBL12258757

COc1cc(OS(C)(=O)=O)cc(Cl)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PGR P06401 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CYP1A2 P05177 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL2455543 0.87 ACHE (0.46) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL2388924 0.82 PGR (0.41) ALDH1A1HPGDPGRABCG2CYP1A2
SCHEMBL12258747 0.81 TUBB1 (0.47) ABCG2CYP1A2TUBB4ATUBBTUBA3C
SCHEMBL12258658 0.76 HPGD (0.40) ALDH1A1HPGDCYP1A2
SCHEMBL2456957 0.76 CYP1A2 (0.46) ALDH1A1ABCG2CYP1A2CYP1A1CYP1B1
SCHEMBL6093598 0.73 ERN1 (0.53) ALDH1A1HPGDABCG2CYP1A2CYP1A1
SCHEMBL9958096 0.71 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL9957932 0.71 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL2083820 0.71 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL9957685 0.71 CA12 (0.54) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2015-05-14 US disclosed
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-08-14 US disclosed
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-08-14 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 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 (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-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885HPGD 785/4885PGR 3549/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885HPGD 785/4885PGR 3549/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885HPGD 785/4885PGR 3549/4885
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885HPGD 785/4885PGR 3549/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885HPGD 785/4885PGR 3549/4885

“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.