SCHEMBL2378872

SCHEMBL2378872

O=C(CCl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
GSK3B P49841 2/20 0.52
TRPV1 Q8NER1 8/20 0.50
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
EPHX2 P34913 1/20 0.49
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL31322196 0.86 HRH3 (0.49) MMP2MMP9MMP8TRPV1HDAC3
SCHEMBL31322194 0.86 HRH3 (0.49) MMP2MMP9MMP8TRPV1HDAC3
SCHEMBL2377766 0.84 ALDH1A1 (0.51) MMP2MMP9MMP8GSK3BTRPV1
SCHEMBL3638164 0.81 MMP2 (0.50) MMP2MMP9MMP8TRPV1HDAC3
SCHEMBL8288215 0.81 HDAC3 (0.59) MMP2MMP9MMP8TRPV1HDAC3
SCHEMBL6141283 0.81 HDAC3 (0.54) MMP2MMP9MMP8TRPV1HDAC3
SCHEMBL2093772 0.81 MMP2 (0.50) MMP2MMP9MMP8TRPV1HDAC3
SCHEMBL639632 0.81 GSK3B (0.59) MMP2MMP9MMP8GSK3BTRPV1
SCHEMBL11844603 0.80 TP53 (0.54) TRPV1HDAC3HDAC1HDAC2EPHX2
Hydrochloric Acid SCHEMBL640025 0.80 MMP2 (0.49) MMP2MMP9MMP8TRPV1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021150700-A1 N-SUBSTITUTED-3-TRICYCLYL PIPERIDINE DERIVATIVES AS ANTICANCER AND NEUROPROTECTIVE AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-29 WO disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
EP-2023934-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-02-18 EP disclosed
WO-2007134149-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
WO-2007134149-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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 (2 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-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 MMP2 1625/4885MMP9 1984/4885MMP8 1838/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 MMP2 1625/4885MMP9 1984/4885MMP8 1838/4885

“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.