SCHEMBL19974601

SCHEMBL19974601

O=C(O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.54
CCR2 P41597 1/20 0.48
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
OPRD1 P41143 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CCR3 P51677 2/20 0.44
AIMP2 Q13155 1/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN1 Q05586 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
FKBP1A P62942 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL24043594 0.81 POLB (0.69) YAP1KMT2APOLBGRIN2BFKBP1A
SCHEMBL13342864 0.81 NPC1 (0.59) KMT2APOLBGRIN2BGRIN1SIGMAR1
SCHEMBL19982254 0.81 YAP1 (0.57) YAP1OPRD1CCR3GRIN2BGRIN1
SCHEMBL28493357 0.80 YAP1 (0.62) YAP1CCR2KMT2A
SCHEMBL21359143 0.80 YAP1 (0.62) YAP1CCR2KMT2A
SCHEMBL19974588 0.80 YAP1 (0.68) YAP1CCR2POLB
SCHEMBL28501789 0.80 YAP1 (0.59) YAP1CCR2
SCHEMBL5743274 0.79 SIGMAR1 (0.59) KMT2APOLBCCR3SIGMAR1
SCHEMBL21359132 0.79 POLB (0.52) YAP1KMT2APOLBOPRD1GRIN2B
SCHEMBL21359119 0.79 YAP1 (0.64) YAP1CCR2POLBCCR3

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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 US disclosed
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 US disclosed
US-20210363128-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-11-25 US disclosed
EP-3765015-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center & Research Institute, Inc. (US) 2021-01-20 EP disclosed
CN-111989100-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2020-11-24 CN disclosed
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 WO disclosed
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 WO disclosed
EP-3512839-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2019-07-24 EP disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 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 (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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC YAP1 1/4885CCR2 3571/4885KMT2A 1665/4885
US-20210363128-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, MYC, YES1 YAP1 1/4885CCR2 3602/4885KMT2A 1630/4885

“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.